Results for:
Species: Serratia marcescens

Signature

Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names

benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

Benzaldehyde, natural, >=98%, FCC, FG

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

Benzaldehyde, puriss. p.a., >=99.0% (GC)

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

Microorganism:

Yes

IUPAC name

benzaldehyde

SMILES

C1=CC=C(C=C1)C=O

Inchi

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

Formula

C₇H₆O

PubChem ID

240

Molweight

106.12

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

17169

Supernatural-ID

SN0135798

mVOC Specific Details

Boiling Point

Degree	Reference
178.7 °C peer reviewed

Volatilization

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
1.27 mm Hg at 25 deg C	Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

MS-Links

MS-MS Spectrum 2473 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2472 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 20462

MS-MS Spectrum 2474 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6103 - EI-B (HITACHI M-68) Positive

MS-MS Spectrum 226368

MS-MS Spectrum 6102 - EI-B (JEOL JMS-01-SG-2) Positive

MS-MS Spectrum 6104 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 20464

MS-MS Spectrum 6105 - EI-B (HP 5970) Positive

1D-NMR-Links

1D NMR Spectrum 2036 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 4018

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003416

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003547

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004667

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008775

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS000801

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Streptococcus Pneumoniae	NA	NA	Mellors et al. 2018
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Eukaryota	Agaricus Essettei		NA	Rapior et al. 2002
Eukaryota	Candida Albicans		NA	Karami et al. 2017
Prokaryota	Escherichia Coli		NA	Karami et al. 2017
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017
Prokaryota	Bacillus Subtilis		NA	Gao et al. 2018
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Hypoxylon Invadens		NA	Dickschat et al. 2018
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Polyporus Tuberaster		NA	Kawabe et al. 1994
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Bacillus Amyloliquefaciens		commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Prokaryota	Stenotrophomonas Maltophilia	antifungal activity against Colletotrichum nymphaeae	isolated from the healthy strawberry leaf in Kamyaran, Kurdistan province	Alijani et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 101	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Prokaryota	Lactobacillus Plantarum	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Corrugata	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Aurantiaca	n/a	NA	Fernando et al. 2005
Prokaryota	Bacillus Sp.	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Alcaligenes Faecalis	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Arthrobacter Nitroguajacolicus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Lysobacter Gummosus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Sporosarcina Ginsengisoli	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Octadecabacter Sp.	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Bacillus Amyloliquefaciens		Agriculture University of Nanjing, China	Tahir et al. 2017
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Eukaryota	Pleurotus Ostreatus		NA	Beltran-Garcia et al. 1997
Eukaryota	Fomes Fomentarius		NA	Fäldt et al. 1999
Eukaryota	Penicillium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Fusarium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Botrytis Sp.		NA	Kikuchi et al. 1983
Eukaryota	Aspergillus Sp.		NA	Takeuchi et al. 2012
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Pseudomonas Fluorescens	promotes volatile oil accumulation, activating plant defense	from geo-authentic Atractylodes lancea	Zhou et al. 2016
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Lactobacillus Helveticus	na	yoghurt	Pogačić et al. 2016
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Tsukamurella Sp.	na	na	Tyc et al. 2015
Prokaryota	Janthinobacterium Sp.	na	na	Tyc et al. 2015
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Haemophilus Influenzae		clinic	Preti et al. 2009
Prokaryota	Branhamella Catarrhalis		clinic	Preti et al. 2009
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Indicum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Fructicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Saccharomyces Eubayanus	NA	NA	Urbina et al. 2020
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023
	Citrobacter Freundii			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023
	Staphylococcus Aureus			Wang et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Streptococcus Pneumoniae	Modified Lacks Media	SPME/GCxGC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Eukaryota	Agaricus Essettei		hydro-destillation, solvent extraction, GC-MS	no
Eukaryota	Candida Albicans	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Escherichia Coli	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB) agar	HS / SPME / GC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	yes
Eukaryota	Polyporus Tuberaster	PGY	GC-MS	no
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	TSB media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Epidermidis	MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Pseudomonas Aurantiaca	n/a	n/a	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Alcaligenes Faecalis	n/a	n/a	no
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	n/a	no
Prokaryota	Lysobacter Gummosus	n/a	n/a	no
Prokaryota	Sporosarcina Ginsengisoli	n/a	n/a	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Octadecabacter Sp.	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract	GC/MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Bacillus Amyloliquefaciens	LB	SPME-GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Eukaryota	Pleurotus Ostreatus			no
Eukaryota	Fomes Fomentarius			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Botrytis Sp.			no
Eukaryota	Aspergillus Sp.			no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Pseudomonas Fluorescens	MS rooting agar	GC/MS + comparison to NIST	no
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Lactobacillus Helveticus	curd-based broth medium	GC/MS	yes
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Janthinobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Branhamella Catarrhalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Bjerkandera Adusta			no
Eukaryota	Tuber Melanosporum	None	None	yes
Eukaryota	Tuber Indicum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Fructicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS-SPME-GC-MS	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

2-phenylacetaldehyde

Mass-Spectra

Compound Details

Synonymous names

phenylacetaldehyde

2-phenylacetaldehyde

122-78-1

Benzeneacetaldehyde

Hyacinthin

Phenylethanal

alpha-Tolualdehyde

2-Phenylethanal

Phenylacetic aldehyde

Oxophenylethane

alpha-Toluic aldehyde

Acetaldehyde, phenyl-

Benzylcarboxaldehyde

1-Oxo-2-phenylethane

Phenacetaldehyde

phenyl acetaldehyde

phenyl-Acetaldehyde

.alpha.-Tolualdehyde

Benzacetaldehyde

Phenylacetaldehyde (natural)

alpha-Phenylacetaldehyde

Benzenacetaldehyde

.alpha.-Toluic aldehyde

FEMA No. 2974

UNII-U8J5PLW9MR

NSC 406309

U8J5PLW9MR

EINECS 204-574-5

alpha-Tolyaldehyde

Acetaldehyde, phenyl- (8CI)

DTXSID3021483

CHEBI:16424

AI3-02175

NSC-406309

a-Tolyaldehyde

DTXCID501483

FEMA NO. 2874

CAS-122-78-1

benzeneethanal

a-Tolualdehyde

2-phenylethanone

a-toluic aldehyde

Phenylacetoaldehyde

benzene acetaldehyde

a-Phenylacetaldehyde

2-phenyl-acetaldehyde

bmse000427

NCIOpen2_003602

Phenylacetaldehyde, >=90%

SCHEMBL18972

PHENYLACETALDEHYDE [MI]

PHENYLACETALDEHYDE [FCC]

CHEMBL1233464

PHENYLACETALDEHYDE [FHFI]

STR00412

Tox21_201582

Tox21_302945

MFCD00006993

NSC406309

s9357

AKOS000119316

CCG-266073

CS-W011205

DB02178

HY-W010489

MCULE-3725701027

Phenylacetaldehyde, >=95%, FCC, FG

NCGC00249076-01

NCGC00256522-01

NCGC00259131-01

DB-041686

NS00013128

P0119

EN300-18996

C00601

D78329

10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1

A804962

Q424998

doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1

Q-201558

F2190-0653

Z104472146

D60A2590-0A65-4BA8-A05B-D8423408535C

InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H

Microorganism:

Yes

IUPAC name

2-phenylacetaldehyde

SMILES

C1=CC=C(C=C1)CC=O

Inchi

InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

Formula

C₈H₈O

PubChem ID

998

Molweight

120.15

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds

CHEBI-ID

16424

Supernatural-ID

SN0075259

mVOC Specific Details

Boiling Point

Degree	Reference
195 °C	PhysProp

MS-Links

MS-MS Spectrum 108927

MS-MS Spectrum 176258

MS-MS Spectrum 108928

MS-MS Spectrum 108929

MS-MS Spectrum 176257

MS-MS Spectrum 176256

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009418

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Kunze et al. 2013
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Kunze et al. 2013
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017
Prokaryota	Acinetobacter Radioresistens		NA	Timm et al. 2018
Prokaryota	Staphylococcus Epidermidis		NA	Timm et al. 2018
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Bacillus Cereus	promote fungal hypocrellin A production in Shiraia sp. S9	isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
Eukaryota	Botrytis Sp.		NA	Kikuchi et al. 1983
Eukaryota	Fusarium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Aspergillus Sp.		NA	Seifert and King 1982
Eukaryota	Ganoderma Applanatum		NA	Ziegenbein et al. 2010
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Staphylococcus Xylosus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Lactococcus Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Arthrobacter Globiformis	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Bacillus Sp.	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Alcaligenes Faecalis	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Arthrobacter Nitroguajacolicus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Lysobacter Gummosus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Sporosarcina Ginsengisoli	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Indicum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023
	Staphylococcus Aureus			Wang et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	MCC-IMS	no
Prokaryota	Pseudomonas Aeruginosa	LB	MCC-IMS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Acinetobacter Radioresistens	TSA	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	MOPS glucose+EZ	SPME, GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Tuber Magnatum		GC-MS-O	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, MHB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	yes
Eukaryota	Botrytis Sp.			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Aspergillus Sp.			no
Eukaryota	Ganoderma Applanatum			no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Staphylococcus Xylosus	n/a	n/a	no
Prokaryota	Lactococcus Sp.	n/a	n/a	no
Prokaryota	Arthrobacter Globiformis	n/a	n/a	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Alcaligenes Faecalis	n/a	n/a	no
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	n/a	no
Prokaryota	Lysobacter Gummosus	n/a	n/a	no
Prokaryota	Sporosarcina Ginsengisoli	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Prokaryota	Burkholderia Graminis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Tuber Melanosporum	None	None	yes
Eukaryota	Tuber Indicum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Enterobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

2,3,5-trimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names

2,3,5-Trimethylpyrazine

14667-55-1

TRIMETHYLPYRAZINE

Pyrazine, trimethyl-

Pyrazine, 2,3,5-trimethyl-

2,3,5-Trimethyl pyrazine

2,3,6-Trimethylpyrazine

FEMA No. 3244

Q8PR0W8TIT

2,3,5-Trimethyl-pyrazine

Pyrazine, 2,3,5-trimethyl

DTXSID1047075

CCRIS 2932

trimethyl pyrazine

EINECS 238-712-0

UNII-Q8PR0W8TIT

2,3,5-Trimethyl pyrazine (natural)

BRN 0002423

AI3-34442

SCHEMBL107646

CHEMBL320146

DTXCID9027075

FEMA 3244

2,3,5-Trimethylpyrazine, 99%

CHEBI:190131

AMY23186

Tox21_302314

MFCD00006145

AKOS015842577

CS-W011192

HY-W010476

MCULE-8809596878

2,3,5-TRIMETHYLPYRAZINE [FCC]

2,3,5-TRIMETHYLPYRAZINE [FHFI]

NCGC00256135-01

AC-10654

PD158279

CAS-14667-55-1

DB-003800

NS00013306

T0942

2,3,5-Trimethylpyrazine, analytical standard

2,3,5-Trimethylpyrazine, >=99%, FCC, FG

EN300-201680

2,3,5-Trimethylpyrazine, natural, >=95%, FG

Q-100171

Q21099097

InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H

Microorganism:

Yes

IUPAC name

2,3,5-trimethylpyrazine

SMILES

CC1=CN=C(C(=N1)C)C

Inchi

InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3

Formula

C₇H₁₀N₂

PubChem ID

26808

Molweight

122.17

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

CHEBI-ID

190131

Supernatural-ID

SN0140200

mVOC Specific Details

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-BAFG-CSL23111027407

Massbank Spectrum MSBNK-BAFG-CSL23111027408

Massbank Spectrum MSBNK-BAFG-CSL23111027409

Massbank Spectrum MSBNK-BAFG-CSL23111027410

Massbank Spectrum MSBNK-BAFG-CSL23111027411

Massbank Spectrum MSBNK-BAFG-CSL23111027412

Massbank Spectrum MSBNK-BAFG-CSL23111027413

Massbank Spectrum MSBNK-BAFG-CSL23111027414

Massbank Spectrum MSBNK-BAFG-CSL23111027415

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007770

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009038

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	Bacillus Acidiceler		NA	Méndez-Bravo et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Serratia Fonticola		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Eukaryota	Debaryomyces Hansenii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	It is involved in fruit fly attraction to bacteria.	NA	Schulz and Dickschat 2007
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Prokaryota	Bacillus Simplex	n/a	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	n/a	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	n/a	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	n/a	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	n/a	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	n/a	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	n/a	NA	Gu et al. 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Stenotrophomonas Maltophilia		clinic	Preti et al. 2009
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Enterobacter Agglomerans		NA	Robacker and Lauzon 2002
Eukaryota	Fusarium Sp.		NA	Dickschat 2017
Eukaryota	Aspergillus Sp.		NA	Dickschat 2017
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Chlororaphis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Fluorescens	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Bacillus Acidiceler	LB agar	SPME / GS-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Serratia Fonticola	TSB media	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI media, LB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Eukaryota	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Enterobacter Agglomerans			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Aspergillus Sp.			no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no

2-methylquinoxaline

Mass-Spectra

Compound Details

Synonymous names

2-METHYLQUINOXALINE

7251-61-8

Quinoxaline, 2-methyl-

2-methyl-quinoxaline

MFCD00006727

03VU31MV6J

NSC-65587

2-Methyl quinoxaline

CCRIS 2948

EINECS 230-664-9

NSC 65587

BRN 0113307

UNII-03VU31MV6J

AI3-50958

methyl-quinoxaline

2-methyl chinoxaline

2-Methylquinoxaline, 97%

NCIOpen2_000305

2-methyl-1,4-naphthyridine

SCHEMBL28571

5-23-07-00219 (Beilstein Handbook Reference)

2-Methylquinoxaline, >=97%

CHEMBL3287983

DTXSID50222831

CHEBI:132812

AMY36538

NSC65587

STL451646

AKOS015842561

CS-W016388

MCULE-2015871894

AS-57153

SY031444

DB-013500

A9429

M0580

NS00022728

EN300-120446

W-104484

Q27225675

Z1255423472

InChI=1/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H

Microorganism:

Yes

IUPAC name

2-methylquinoxaline

SMILES

CC1=NC2=CC=CC=C2N=C1

Inchi

InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3

Formula

C₉H₈N₂

PubChem ID

23686

Molweight

144.17

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds benzenoids heterocyclic compounds quinoxalines

CHEBI-ID

132812

Supernatural-ID

SN0008655

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glathei	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Cupriavidus Necator	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Cereus	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Anthina	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glathei	LB, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Hospita	MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cupriavidus Necator	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no

Furan-2-carbaldehyde

Mass-Spectra

Compound Details

Synonymous names

FURFURAL

2-Furaldehyde

furan-2-carbaldehyde

98-01-1

2-Furancarboxaldehyde

Furaldehyde

Furfuraldehyde

Fural

2-Formylfuran

2-Furanaldehyde

2-Furancarbonal

Furancarbonal

Furfurole

2-Furfural

Furfurylaldehyde

2-Furfuraldehyde

Pyromucic aldehyde

Furale

Furole

Furol

2-Furylaldehyde

2-Furylcarboxaldehyde

2-Furyl-methanal

Furfurale

Furyl-methanal

2-Furylmethanal

2-Furil-metanale

Furan-2-carboxaldehyde

2-furancarbaldehyde

Quakeral

Fufural

alpha-Furole

2-Formylofuran

2-Formyl furan

2-Furankarbaldehyd

Nci-C56177

alpha-Furfuraldehyde

Furfural (natural)

Rcra waste number U125

Furaldehydes

Caswell No. 466

FEMA No. 2489

furan-2-aldehyde

NSC 8841

CCRIS 1044

HSDB 542

CHEBI:34768

UNII-DJ1HGI319P

.alpha.-Furole

EINECS 202-627-7

DJ1HGI319P

MFCD00003229

EPA Pesticide Chemical Code 043301

BRN 0105755

2-furancarboxyaldehyde

DTXSID1020647

AI3-04466

NSC-8841

DTXCID50647

EC 202-627-7

5-17-09-00292 (Beilstein Handbook Reference)

NCGC00091328-01

FURFURAL (IARC)

FURFURAL [IARC]

Furfurale [Italian]

2-Formylofuran [Polish]

2-Furankarbaldehyd [Czech]

CAS-98-01-1

2-Furil-metanale [Italian]

UN1199

RCRA waste no. U125

Hydrojasmal

Furfuralu

a-furfuraldehyde

Qo furfural

a-Furole

alpha-furaldehyde

2-furanal

Furfural ACS grade

furan-2 carbaldehyde

FURFURALDEHYDES

Furfural, 99%

2-Furaldehyde, 8CI

2-furan-carboxaldehyde

2-Furanocarboxyaldehyde

FURFURAL [FHFI]

FURFURAL [HSDB]

FURFURAL [INCI]

FURFURAL [FCC]

FURFURAL [MI]

2-Furylaldehyde xypropane

U1199

WLN: T5OJ BVH

BIDD:ER0698

FURAL/PYROMUCIC ALDEHYDE

Furfural, ACS reagent, 99%

CHEMBL189362

QSPL 006

QSPL 102

FEMA 2489

Furan-2-carbaldehyde (Furfural)

NSC8841

Furfural, >=98%, FCC, FG

Furfural, for synthesis, 98.0%

STR00358

Tox21_111114

Tox21_202191

Tox21_300170

BDBM50486229

Furaldehydes [UN1199] [Poison]

STL283124

AKOS000118907

AM81812

Furfural, analytical reference material

MCULE-5757882837

Furfural 100 microg/mL in Acetonitrile

USEPA/OPP Pesticide Code: 043301

Furfural, natural, >=98%, FCC, FG

Furfural, SAJ first grade, >=99.0%

NCGC00091328-02

NCGC00091328-03

NCGC00091328-04

NCGC00253954-01

NCGC00259740-01

BP-31002

DB-003668

CS-0015696

F0073

NS00003316

EN300-18110

ASCORBIC ACID IMPURITY A [EP IMPURITY]

A845786

Q412429

F1294-0048

InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4

furfural; furfuraldehyde; furfurol; 2-furaldehyde; 2-furancarboxaldehyde; furan-2-carboxaldehyde

Microorganism:

Yes

IUPAC name

furan-2-carbaldehyde

SMILES

C1=COC(=C1)C=O

Inchi

InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

Formula

C₅H₄O₂

PubChem ID

7362

Molweight

96.08

LogP

0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aldehydes furan derivatives

CHEBI-ID

34768

Supernatural-ID

SN0138568

mVOC Specific Details

Boiling Point

Degree	Reference
161.7 °C peer reviewed

Volatilization

The Henry's Law constant for furfural is estimated as 3.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.21 mm Hg(1), and water solubility, 7.41X10+4 mg/L(2). This Henry's Law constant indicates that furfural is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 9.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 73 days(SRC). Furfural's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furfural from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 140 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of furfural is estimated as 40(SRC), using a log Kow of 0.41(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfural is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 11 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.21 mm Hg at 25 deg C (est)	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 63973

MS-MS Spectrum 121019

MS-MS Spectrum 121017

MS-MS Spectrum 63972

MS-MS Spectrum 121018

MS-MS Spectrum 63974

1D-NMR-Links

1D NMR Spectrum 4008

1D NMR Spectrum 4295

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004917

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005200

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007324

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008700

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Neerincx et al. 2016
Prokaryota	Staphylococcus Epidermidis		DSMZ - Deutsche Sammlung von Mikroorganismen und Zellkulturen	Verhulst et al. 2009
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Cupriavidus Necator	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sordidicola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Fusarium Culmorum	na	sandy dune soil, Netherlands	Schmidt et al. 2015
Eukaryota	Ceratocystis Sp.	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Eukaryota	Thielaviopsis Basicola	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Eukaryota	Puccinia Graminis	Probably an active stimulator of germinatinon of uredospores of Puccinia graminis.	NA	Stotzky and Schenck 1976
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Brain Heart Infusion	TD/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	blood agar	GC-MS	no
Prokaryota	Bacillus Cereus	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cupriavidus Necator	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sordidicola	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Fusarium Culmorum	water agar supplied with artificial root exudates	GC/MS-Q-TOF	no
Eukaryota	Ceratocystis Sp.	n/a	n/a	no
Eukaryota	Thielaviopsis Basicola	n/a	n/a	no
Eukaryota	Puccinia Graminis	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

Phenol

Mass-Spectra

Compound Details

Synonymous names

phenol

108-95-2

carbolic acid

Hydroxybenzene

Phenic acid

Oxybenzene

Benzenol

Phenylic acid

Phenylic alcohol

Monophenol

Phenyl hydrate

Phenyl hydroxide

PhOH

Monohydroxybenzene

Paoscle

Phenole

Izal

Phenyl alcohol

Phenol alcohol

Acide carbolique

Phenol, liquefied

Fenolo

Carbolsaure

Phenosmolin

Fenol

Liquid phenol

Phenol, pure

Benzene, hydroxy-

Rcra waste number U188

Liquefied phenol

Liquified Phenol

Carbolicum acidum

Fenolo [Italian]

NCI-C50124

Phenole [German]

Campho-Phenique Gel

phenylalcohol

UN 2312 (molten)

Phenol [JAN]

UN 1671 (solid)

Phenic

Carbolsaure [German]

Caswell No. 649

Campho-Phenique Liquid

Phenol, molten

2-allphenol

Baker's P & S liquid & Ointment

Fenol [Dutch, Polish]

NSC 36808

Phenol, liquified

Baker's P and S Liquid and Ointment

Monohydroxy benzene

Acide carbolique [French]

CCRIS 504

Campho-Phenique Cold Sore Gel

Carbolsaeure

FEMA No. 3223

Karbolsaeure

HSDB 113

Phenoxy

acide phenique

DTXSID5021124

Phenic alcohol

Phenol,liquified

Synthetic phenol

Phenol, dimer

AI3-01814

RCRA waste no. U188

EINECS 203-632-7

UNII-339NCG44TV

MFCD00002143

NSC-36808

UN1671

UN2312

UN2821

EPA Pesticide Chemical Code 064001

339NCG44TV

CHEBI:15882

Phenol [USP:JAN]

ENT-1814

27073-41-2

CHEMBL14060

DTXCID501124

EC 203-632-7

NSC36808

Phenol, Glass Distilled Under Argon

65996-83-0

Phenol, solid [UN1671] [Poison]

Phenol (USP:JAN)

Phenol, molten [UN2312] [Poison]

NCGC00091454-04

Fenosmoline

Fenosmolin

PHENOL (IARC)

PHENOL [IARC]

PHENOL (USP-RS)

PHENOL [USP-RS]

PHENOL (II)

PHENOL [II]

PHENOL (MART.)

PHENOL [MART.]

Phenol, >=99.0%

17442-59-0

PHENOL (EP MONOGRAPH)

PHENOL [EP MONOGRAPH]

PHENOL (USP MONOGRAPH)

PHENOL [USP MONOGRAPH]

Phen-2,4,6-d3-ol-d

Carbol

hydroxy benzene

Phenol 100 microg/mL in Methanol

Phenol, liquid

Phenol, solid

Baker's p and s

Phenol, sulfurated

CAS-108-95-2

METACRESOL IMPURITY A (EP IMPURITY)

METACRESOL IMPURITY A [EP IMPURITY]

(14C)Phenol

HEXYLRESORCINOL IMPURITY A (EP IMPURITY)

HEXYLRESORCINOL IMPURITY A [EP IMPURITY]

PHENOL (2,3,4,5,6-D5)

arenols

Benzophenol

Karbolsaure

Phylorinol

Ulcerease

Hydroxy-benzene

Phenol liquid

Phenol molten

Fungus Fighte

Phenol synthetic

Pandy's reagent

Cepastat lozenges

Fortinia ID

Phenol, labeled with carbon-14

Acidum Carbolicum

Phenol (liquid)

2-phenyl alcohol

Sore ThroatCherry

Phenol, synthetic

Phenol, ultrapure

ABC Sore Throat

HEB Sore Throat

Phenol ACS grade

RugbyCherry Flavor

Sore ThroatMenthol

Sore Throat Spray

Meijer Sore Throat

Sore Throat Cherry

Sore Throat Relief

Liquefied phenol BP

Paoscle (TN)

Topcare Sore Throat

Carbolic acid liquid

Phenol (TN)

Phenol,(S)

TopCareCherry Flavor

Phenol, ACS reagent

PUBLIX Sore Throat

Carbolic acid, liquid

CepastatExtra Strength

Walgreens Sore Throat

63496-48-0

Sore ThroatReadyInCase

Vortex Moisturizer Oral

1ai7

1li2

4i7l

Liquefied phenol (TN)

DRx Choice Sore Throat

PHENOL [VANDF]

Wild Horse 777 Oral

PHENOL [FHFI]

PHENOL [HSDB]

PHENOL [INCI]

Sore Throat ReliefCherry

Castellani Paint 1.5%

Phenol (JP17/USP)

PHENOL [WHO-DD]

Phenol, detached crystals

Pain RelievingPetro Carbo

PHENOL [MI]

Phenol, >=99%

Sore Throat ReliefMenthol

WLN: QR

Good Neighbor Sore Throat

Liquefied phenol (JP17)

bmse000290

bmse010026

C6H5OH

Fenol(DUTCH, POLISH)

NICE SORE THROAT Cherry

PHENOL, 80% in ethanol

Phenol, LR, >=99%

HEB Sore ThroatCherry Flavor

MLS001065591

Phenol (CGA 73330)

Phenol, for molecular biology

BIDD:ER0293

Phenol for disinfection (TN)

ABC Sore ThroatMenthol Flavor

HEB Sore ThroatMenthol Flavor

NICE SORE THROAT Spearmint

Phenol, natural, 97%, FG

CHLORASEPTIC SORE THROAT

Chloraseptic Sore Throat Cherry

Chloraseptic Sore Throat Citrus

Cuticura pain relieving ointment

Sore Throat ReliefCherry Flavor

CARBOLICUM ACIDUM [HPUS]

DTXSID9075294

Phenol, AR, >=99.5%

PHENOL,LIQUIFIED [VANDF]

BDBM26187

CHEBI:33853

Phenol for disinfection (JP17)

Topcare Sore ThroatMenthol Flavor

3f39

Phenol 10 microg/mL in Methanol

PUBLIX Sore ThroatMenthol Flavor

Walgreens Sore ThroatCherry Flavor

phenol 0.6% anesthetic oral rinse

Tox21_113463

Tox21_201639

Tox21_300042

DRx Choice Sore ThroatMenthol Flavor

Phenol 5000 microg/mL in Methanol

STL194294

AKOS000119025

Eos Medicated Pain Relieving Lip Balm

Tox21_113463_1

DB03255

Good Neighbor Sore ThroatCherry Flavor

MCULE-9943948107

NA 2821

Phenol, BioXtra, >=99.5% (GC)

Phenol, SAJ first grade, >=98.0%

UN 1671

UN 2312

UN 2821

USEPA/OPP Pesticide Code: 064001

NCGC00091454-01

NCGC00091454-02

NCGC00091454-03

NCGC00091454-05

NCGC00091454-06

NCGC00091454-07

NCGC00254019-01

NCGC00259188-01

Phenol, JIS special grade, >=99.0%

61788-41-8

73607-76-8

AM802906

BP-30160

METHYL SALICYLATE IMPURITY B [EP]

SMR000568492

Phenol 1000 microg/mL in Dichloromethane

Phenol, PESTANAL(R), analytical standard

Liquified Phenol (contains 7-10 % water)

NS00010045

P1610

P2771

EN300-19432

C00146

D00033

Phenol, unstabilized, ReagentPlus(R), >=99%

SALICYLIC ACID IMPURITY C [EP IMPURITY]

Phenol, p.a., ACS reagent, 99.5-100.5%

PUBLIX Sore Throat Fast Relief Oral Anesthetic

Q130336

CVS Health Sore Throat Fast Relief Oral Anesthetic

J-610001

Phenol, for molecular biology, ~90% (T), liquid

A13-01814

F1908-0106

Phenol, unstabilized, purified by redistillation, >=99%

Z104473830

InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7

Phenol, BioUltra, for molecular biology, >=99.5% (GC)

Phenol, United States Pharmacopeia (USP) Reference Standard

Liquified Phenol, meets USP testing specifications, >=89.0%

Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T)

phenol;phenol [jan];phenol, pure;phenol phenol [jan] phenol, pure

Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%

Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%

Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC)

Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached)

Microorganism:

Yes

IUPAC name

phenol

SMILES

C1=CC=C(C=C1)O

Inchi

InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

Formula

C₆H₆O

PubChem ID

996

Molweight

94.11

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds phenols benzenoids

CHEBI-ID

15882

Supernatural-ID

SN0154453

mVOC Specific Details

Boiling Point

Degree	Reference
181.75 °C peer reviewed

Volatilization

The Henry's Law constant for phenol is 3.33X10-7 atm-cu m/mol at 25 deg C(1). This Henry's Law constant indicates that phenol is expected to be essentially nonvolatile from water surfaces(2). Phenols's Henry's Law constant indicates that volatilization from moist soil surfaces in not expected to occur(SRC). Phenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.35 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987))(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Bingham E et al, eds; Patty's Toxicology. 5th ed. NY, NY: John Wiley & Sons Inc. 4: 383 (2001)

Soil Adsorption

Phenol is reported to have low adsorptivity to clay soils and silt loam(1) and no adsorption to aquifer material(3) and montmorillonite and kaolinite clays(8). The Koc for phenol to a Batcombe silt loam soil (pH 6.7, organic carbon 2.51%) was 30(6). It was 16 for a Brookstone clay loam (pH 5.7, organic matter 5.1%) and varied with pH and iron content of the soil(7). The Freundlich K and (1/N) for phenol in Captina (pH 5.7, 1.1 % organic matter) and Palouse silt loam (pH 5.7, 3.6% organic matter) soils were 0.58 (1.15) and 0.81 (1.00)(2); the Koc values for these soils are 91 and 39(SRC). Based on the reported Koc values, phenol would be expected to generally exhibit very high mobility in soil, based on a classification scheme(4). In a study of the adsorption of phenol onto siltstone associated with a Wyoming coal deposit suitable for in situ gasification, the pH of the solution was the major controlling factor with adsorption occurring at pH's below the pKa of phenol and no adsorption occurring at pH's above the pKa(5). The log of the Freundlich K value was approximately -4(5). Therefore, phenol may be transported by groundwater near in situ coal gasification sites due to the elevated pH's at these sites after gasification(5). The pKa of phenol is 9.99(9), indicating that it will be partially dissociated at the upper end of environmental pH range and its mobility may be pH dependent(SRC). In general, anions generally do not adsorb to organic carbon and clay as strongly as their neutral counterparts(10).
Literature: (1) Artiola-Fortuny J, Fuller WH; Soil Sci 133: 18-26 (1982) (2) Scott HD et al; J Environ Qual 12: 91-5 (1983) (3) Ehrlich GG et al; Groundwater 20: 703-10 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Laquer FC, Manahan SE; Chemosphere 16: 1431-45 (1987) (6) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (7) Boyd SA et al; Appl Environ Microbiol 46: 50-4 (1983) (8) Luh MD, Baker RA; pp. 534-42 in Proc 25th Ind Waste Conf Purdue Univ (1970) (9) Lide DR, ed; CRC Handbook of Chemistry and Physics. 81st Ed. Boca Raton, FL: CRC Press LLC, p. 5-89 (2000) (10) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
0.35 mm Hg @ 25 deg C	Jones AH; J Chem Eng Data 5: 196-200 (1960)

MS-Links

MS-MS Spectrum 180574

MS-MS Spectrum 3677 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 381 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 3680 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 178259

MS-MS Spectrum 178258

MS-MS Spectrum 180573

MS-MS Spectrum 3678 - EI-B (JEOL JMS-01-SG-2) Positive

MS-MS Spectrum 379 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 380 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 180575

MS-MS Spectrum 178257

MS-MS Spectrum 3679 - EI-B (HITACHI RMU-6L) Positive

MS-MS Spectrum 3681 - EI-B (HITACHI M-80B) Positive

1D-NMR-Links

1D NMR Spectrum 2129 - JEOL 400 MHz 1H NMR

1D NMR Spectrum 1242 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 3448 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-BGC_Munich-RP022501

Massbank Spectrum MSBNK-BGC_Munich-RP022502

Massbank Spectrum MSBNK-BGC_Munich-RP022503

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001317

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003415

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004013

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004664

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009212

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Eukaryota	Chaetomium Indicum		NA	Moisan et al. 2021
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Prokaryota	Pseudomonas Protegens	inhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)	NA	Prigigallo et al. 2021
Prokaryota	Bacillus Subtilis	promote biomass production of Arabidopsis thaliana	rhizosphere of Haloxylon ammodendron	He et al. 2023
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Citrobacter Freundii	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Tropica	n/a	NA	Blom et al. 2011
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Prokaryota	Serratia Sp.	NA	NA	Almeida et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Toyonensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Citrobacter Freundii			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Eukaryota	Chaetomium Indicum	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Prokaryota	Pseudomonas Protegens	LB agar/PD agar	GC-MS	yes
Prokaryota	Bacillus Subtilis	1/2 MS media	SPME/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	n/a	n/a	no
Prokaryota	Citrobacter Freundii	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Prokaryota	Chromobacterium Violaceum	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Tropica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Prokaryota	Serratia Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	SPME/GC/MS	no

2-phenylethyl Butanoate

Compound Details

Synonymous names

Phenethyl butyrate

103-52-6

2-Phenylethyl butanoate

Phenylethyl butyrate

Butanoic acid, 2-phenylethyl ester

2-Phenethyl butanoate

Benzylcarbinyl butyrate

2-Phenylethyl butyrate

Phenethyl butanoate

BUTYRIC ACID, PHENETHYL ESTER

beta-Phenethyl n-butanoate

FEMA No. 2861

.beta.-Phenylethyl butyrate

DTXSID6047604

CHEBI:87413

02E08ZN98R

NSC-1271

NSC-406207

Phenethyl butyrate (natural)

beta-Phenylethyl butyrate

NSC 1271

EINECS 203-119-8

BRN 1955788

UNII-02E08ZN98R

AI3-02954

butanoic acid 2-phenylethyl ester

beta -phenylethyl butyrate

beta -phenethyl N-butanoate

beta -phenylethyl N-butyrate

.beta.-Phenethyl n-butanoate

.beta.-Phenylethyl n-butyrate

SCHEMBL585144

CHEMBL3187974

DTXCID4027604

FEMA 2861

NSC1271

PHENETHYL BUTYRATE [FHFI]

PHENYLETHYL BUTYRATE [FCC]

Tox21_302607

NSC406207

AKOS015964870

Phenethyl butyrate, >=98%, FCC, FG

NCGC00256919-01

AS-57067

CAS-103-52-6

DB-040460

NS00013111

E79212

Q10864412

InChI=1/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H

Microorganism:

Yes

IUPAC name

2-phenylethyl butanoate

SMILES

CCCC(=O)OCCC1=CC=CC=C1

Inchi

InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

Formula

C₁₂H₁₆O₂

PubChem ID

7658

Molweight

192.25

LogP

3.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds esters benzenoids

CHEBI-ID

87413

Supernatural-ID

SN0408894

mVOC Specific Details

Boiling Point

Degree	Reference
238 median

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006417

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no

1-phenylpropan-2-one

Mass-Spectra

Compound Details

Synonymous names

Phenylacetone

1-phenylpropan-2-one

1-Phenyl-2-propanone

103-79-7

Benzyl methyl ketone

Methyl benzyl ketone

Phenyl-2-propanone

1-Phenylacetone

2-Propanone, 1-phenyl-

3-Phenyl-2-propanone

Phenylmethyl methyl ketone

phenyl acetone

1-phenyl-propan-2-one

136675-26-8

phenylaceton

O7IZH10V9Y

CHEMBL3800510

NSC-9827

NSC 9827

Phenylacetone, 99%

EINECS 203-144-4

UNII-O7IZH10V9Y

(phenyl)acetone

AI3-02938

DEA No. 8501

methylbenzyl ketone

phenyl 2-propanone

1-phenyl propanedione

1-Phenylpropane-2-one

PHENYLACETONE [MI]

SCHEMBL43943

ghl.PD_Mitscher_leg0.660

DTXSID1059280

SCHEMBL13341529

CHEBI:52052

HSDB 8385

NSC9827

Phenylacetone, analytical standard

BCP22277

BDBM50167968

STL373560

AKOS004905656

MCULE-2102027204

NS00017966

A800807

Q418831

AMFETAMINE SULFATE IMPURITY B [EP IMPURITY]

InChI=1/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H

Microorganism:

Yes

IUPAC name

1-phenylpropan-2-one

SMILES

CC(=O)CC1=CC=CC=C1

Inchi

InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

Formula

C₉H₁₀O

PubChem ID

7678

Molweight

134.17

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aromatic ketones ketones benzenoids

CHEBI-ID

52052

Supernatural-ID

SN0301338

mVOC Specific Details

Boiling Point

Degree	Reference
214 °C peer reviewed

Volatilization

The Henry's Law constant for phenyl 2-propanone is estimated as 4.0X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that phenyl 2-propanone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 80 days(SRC). Phenyl 2-propanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Phenyl 2-propanone has an estimated vapor pressure of 0.16 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, phenyl 2-propanone may volatilize from dry soil.

Soil Adsorption

The Koc of phenyl 2-propanone is estimated as 80(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that phenyl 2-propanone is expected to have high mobility in soil.

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002305

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003654

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007141

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Klebsiella Pneumoniae		clinical isolate,bacteremic patients	Rees et al. 2017
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Streptomyces Philanthi	antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4	NA	Boukaew and Prasertsan 2020
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Litoreibacter Sp.		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Odorifera	n/a	NA	Weise et al. 2014
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Arthrobacter Nicotianae	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Klebsiella Pneumoniae	BHI, LB, MHB, TSB	SPME / GCxGC-TOFMS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Streptomyces Philanthi	sterile wheat seeds	GC-MS	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Prokaryota	Litoreibacter Sp.	marine broth agar	OSSA/GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Odorifera	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Prokaryota	Arthrobacter Nicotianae	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no

1-phenylethanone

Mass-Spectra

Compound Details

Synonymous names

ACETOPHENONE

98-86-2

1-Phenylethanone

Methyl phenyl ketone

Phenyl methyl ketone

Acetylbenzene

Ethanone, 1-phenyl-

Hypnone

Benzoyl methide

Acetophenon

Acetylbenzol

1-phenylethan-1-one

1-Phenyl-1-ethanone

Benzoylmethide

Acetofenon

Benzene, acetyl-

Ketone, methyl phenyl

Phenylethanone

Hypnon

USAF EK-496

methylphenylketone

phenylmethylketone

RCRA waste number U004

1-phenyl-ethanone

Acetofenon [Czech]

Dymex

NSC 7635

FEMA No. 2009

FEMA Number 2009

CCRIS 1341

HSDB 969

AI3-00575

RCRA waste no. U004

EINECS 202-708-7

UNII-RK493WHV10

RK493WHV10

DTXSID6021828

CHEBI:27632

Ketone, methyl phenyl-

NSC-7635

Acetophenone-alpha-13C

Acetophenone-1,2-13C2

CHEMBL274467

DTXCID501828

EC 202-708-7

Ethanone-2,2,2-d3, 1-(phenyl-d5)-

ACETOPHENONE (II)

ACETOPHENONE [II]

Acetofenona

CAS-98-86-2

MFCD00064447

AC0

(2,2,2,-2H3)ACETOPHENONE

aceto phenone

aceto-phenone

acetyl-benzen

Acetyl-Benzene

alpha-Acetophenone

Ethanone,1-phenyl

methyl-phenyl ketone

Methyl phenyl-Ketone

nchem.180-comp5

Benzoyl methide hypnone

1-Phenylethanone, 9CI

ACETOPHENONE [MI]

SCHEMBL737

ACETOPHENONE [FCC]

bmse000286

ACETOPHENONE [FHFI]

ACETOPHENONE [HSDB]

ACETOPHENONE [INCI]

WLN: 1VR

Acetophenone, >=98%, FG

SCHEMBL8170205

1-Phenylethanone (acetophenone)

SCHEMBL13341485

Acetophenone, analytical standard

FEMA 2009

NSC7635

Acetophenone, >=98.0% (GC)

Acetophenone, natural, 98%, FG

HY-Y0989

STR00017

Tox21_202422

Tox21_300343

Acetophenone, ReagentPlus(R), 99%

BDBM50236986

c0117

MFCD00008724

s5528

AKOS000119011

CCG-266074

DB04619

MCULE-4710225344

USEPA/OPP Pesticide Code: 129033

NCGC00248000-01

NCGC00248000-02

NCGC00254370-01

NCGC00259971-01

SY073923

DB-044220

A0061

CS-0015982

NS00010659

EN300-18050

Acetophenone, puriss. p.a., >=99.0% (GC)

C07113

D71016

A854783

Q375112

J-519533

Z57127548

Acetophenone, TraceCERT(R), certified reference material

InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H

Microorganism:

Yes

IUPAC name

1-phenylethanone

SMILES

CC(=O)C1=CC=CC=C1

Inchi

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

Formula

C₈H₈O

PubChem ID

7410

Molweight

120.15

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aromatic ketones ketones benzenoids

CHEBI-ID

27632

Supernatural-ID

SN0197388

mVOC Specific Details

Boiling Point

Degree	Reference
202.1 °C peer reviewed

Volatilization

The Henry's Law constant for acetophenone was measured as 1.04X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetophenone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 61 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 32 days(SRC). Acetophenone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetophenone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.397 mm Hg(3).
Literature: (1) Betterton EA et al; Atmos Environ 25A: 1473-77 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

The Koc of acetophenone was measured as 10, using an agricultural soil obtained from Northeastern China(1). According to a classification scheme(2), this Koc value suggests that acetophenone is expected to have very high mobility in soil(SRC).
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #The experimental and estimated log Koc for acetophenone in several soils and sediments ranged from 1.34-2.43(1-6,8). These values are indicative of medium to high mobility in soil and low adsorption to sediments(7).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Sabljic A; Enviorn Sci Technol 21: 358-66 (1987) (3) Banwart WL et al; J Environ Sci Health B15: 165-79 (1980) (4) Hodson J, Williams NA; Chemosphere 17: 67-77 (1988) (5) Gerstl Z, Mingelgrin U; J Environ Sci Health B19: 297-312 (1984) (6) Khan A et al; Soil Sci 128: 297-302 (1979) (7) Swann RL et al; Res Rev 85: 17-28 (1983) (8) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986)

Vapor Pressure

Pressure	Reference
0.397 mm Hg @ 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Athens_Univ-AU506501

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001491

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001661

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003413

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003538

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007137

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009602

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Acinetobacter Radioresistens		NA	Timm et al. 2018
Prokaryota	Brevibacterium Epidermidis		NA	Timm et al. 2018
Prokaryota	Corynebacterium Xerosis		NA	Timm et al. 2018
Prokaryota	Pseudomonas Aeruginosa		NA	Timm et al. 2018
Prokaryota	Rhodococcus Erythropolis		NA	Timm et al. 2018
Prokaryota	Staphylococcus Epidermidis		NA	Timm et al. 2018
Eukaryota	Hypoxylon Invadens		NA	Dickschat et al. 2018
Prokaryota	Bacillus Subtilis			Zhang et al. 2021
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Pseudomonas Protegens	inhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)	NA	Prigigallo et al. 2021
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Prokaryota	Stenotrophomonas Maltophilia		clinic	Preti et al. 2009
Eukaryota	Aspergillus Clavatus		NA	Seifert and King 1982
Eukaryota	Mortierella Isabellina		NA	Bengtsson et al. 1991
Eukaryota	Verticillium Bulbillosum		NA	Bengtsson et al. 1991
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Arthrobacter Nicotianae	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Chlororaphis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Providencia Rettgeri	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Eukaryota	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Eukaryota	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Acinetobacter Radioresistens	MOPS glucose	SPME, GC-MS	no
Prokaryota	Acinetobacter Radioresistens	TSA	SPME, GC-MS	no
Prokaryota	Brevibacterium Epidermidis	TSA	SPME, GC-MS	no
Prokaryota	Corynebacterium Xerosis	TSA	SPME, GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSA	SPME, GC-MS	no
Prokaryota	Rhodococcus Erythropolis	TSA	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	MOPS glucose+EZ	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSA	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	MOPS glucose	SPME, GC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	DYGS media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Protegens	LB agar/PD agar	GC-MS	yes
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Prokaryota	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Clavatus			no
Eukaryota	Mortierella Isabellina			no
Eukaryota	Verticillium Bulbillosum			no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Arthrobacter Nicotianae	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Providencia Rettgeri	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Eukaryota	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Eukaryota	Tuber Borchii	None	None	yes
Eukaryota	Tuber Melanosporum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no

Phenylmethanol

Mass-Spectra

Compound Details

Synonymous names

benzyl alcohol

phenylmethanol

benzenemethanol

100-51-6

phenylcarbinol

benzylalcohol

Benzoyl alcohol

Benzenecarbinol

alpha-Toluenol

Phenylmethyl alcohol

Hydroxytoluene

(Hydroxymethyl)benzene

Phenolcarbinol

Benzal alcohol

benzylic alcohol

Alcool benzylique

Benzylicum

Methanol, phenyl-

Phenylcarbinolum

alpha-hydroxytoluene

Euxyl K 100

hydroxymethylbenzene

Bentalol

Ulesfia

Phenyl Methanol

Phenyl-Methanol

66072-40-0

BENZYL-ALCOHOL

Caswell No. 081F

alcoholum benzylicum

Benzyl alcohol (natural)

FEMA No. 2137

Benzylalkohol

Alcohol,benzyl

NCI-C06111

.alpha.-Hydroxytoluene

Alcool benzilico

Aromatic alcohol

Alcohol, Benzyl

Alcohol bencilico

.alpha.-Toluenol

Alcool benzilico [DCIT]

Itch-X

NSC 8044

HSDB 46

benzenmethanol

Benzalalcohol

Benzalcohol

CCRIS 2081

Aromatic primary alcohol

Alcoolbenzylique

Alcool benzylique [INN-French]

Benzyl alkohol

Alcohol bencilico [INN-Spanish]

Methanol benzene

Alcoholum benzylicum [INN-Latin]

UNII-LKG8494WBH

Alcohol benzylicus

NSC-8044

EINECS 202-859-9

BnOH

LKG8494WBH

EPA Pesticide Chemical Code 009502

BRN 0878307

Sunmorl BK 20

DTXSID5020152

CHEBI:17987

INS NO.1519

AI3-01680

INS-1519

MFCD00004599

Hydroxymethyl resin (100-200 mesh)

TOLUENE,ALPHA-HYDROXY

DTXCID70152

Benzyl alcohol (Benzenemethanol)

benzyl alcohol (ring-13c6)

E-1519

EC 202-859-9

4-06-00-02222 (Beilstein Handbook Reference)

185532-71-2

NCGC00091865-01

BENZYL-ALPHA,ALPHA-D2 ALCOHOL

BENZYL ALCOHOL (II)

BENZYL ALCOHOL [II]

MBN

BENZYL ALCOHOL (MART.)

BENZYL ALCOHOL [MART.]

Alcool benzylique (INN-French)

BENZYL ALCOHOL (USP-RS)

BENZYL ALCOHOL [USP-RS]

Alcohol bencilico (INN-Spanish)

Alcoholum benzylicum (INN-Latin)

BENZYL ALCOHOL (EP MONOGRAPH)

BENZYL ALCOHOL [EP MONOGRAPH]

phenylmethan-1-ol

CAS-100-51-6

Ulesfia (TN)

201740-95-6

Benzyl alcohol [USAN:INN:JAN]

enzylalcohol

Protocoxil

phenyl carbinol

benzene-methanol

Benzyl Alcohole

a-Hydroxytoluene

a-Toluenol

Alcohol benzilico

Benzyl alcohol [INN:JAN:NF]

Hydroxymethyl resin (200-400 mesh)

PhCH2OH

Bn-OH

SCHEMBL147

Benzyl alcohol, ACS grade

bmse000407

C6H5CH2OH

CHEMBL720

WLN: Q1R

BENZYL ALCOHOL [MI]

Benzyl alcohol (JP15/NF)

BENZYL ALCOHOL [FCC]

BENZYL ALCOHOL [INN]

BENZYL ALCOHOL [JAN]

BENZYL ALCOHOL [FHFI]

BENZYL ALCOHOL [HSDB]

BENZYL ALCOHOL [INCI]

BIDD:ER0248

ALCOHOL,BENZYL [VANDF]

BENZYL ALCOHOL [VANDF]

ZilactinEarly Relief Cold Sore

TB 13G

Benzyl alcohol, LR, >=99%

BENZYL ALCOHOL [WHO-DD]

BENZYL ALCOHOL [WHO-IP]

BDBM16418

NSC8044

Benzyl alcohol (JP17/NF/INN)

HMS3264B16

HMS3885F10

Pharmakon1600-01502555

Benzyl alcohol, analytical standard

Benzyl alcohol, AR, >=99.5%

HY-B0892

Benzyl alcohol, anhydrous, 99.8%

Tox21_111172

Tox21_202447

Tox21_300044

BBL011938

BENZYL ALCOHOL [ORANGE BOOK]

NSC760098

s4600

STL163453

Benzyl alcohol, >=99%, FCC, FG

AKOS000119907

Benzyl alcohol, natural, >=98%, FG

CCG-213843

DB06770

MCULE-6011707909

NSC-760098

USEPA/OPP Pesticide Code: 009502

NCGC00091865-02

NCGC00091865-03

NCGC00091865-04

NCGC00254154-01

NCGC00259996-01

ALCOHOL BENZYLICUS [WHO-IP LATIN]

Benzyl alcohol, ACS reagent, >=99.0%

Benzyl alcohol, ReagentPlus(R), >=99%

Benzyl alcohol, USP, 98.0-100.5%

B2378

Benzyl alcohol, tested according to Ph.Eur.

Benzylalcohol 100 microg/mL in Acetonitrile

E1519

NS00009775

Benzyl alcohol, p.a., ACS reagent, 99.0%

Benzyl alcohol, SAJ first grade, >=98.5%

EN300-20016

Benzyl alcohol, SAJ special grade, >=99.0%

Benzyl alcohol, Vetec(TM) reagent grade, 98%

C00556

C03485

D00077

D70182

Q52353

AB01563201_01

A800221

SR-01000872610

J-000153

SR-01000872610-3

BENZALKONIUM CHLORIDE IMPURITY A [EP IMPURITY]

F0001-0019

Z104476418

3762963D-6C2A-4BFF-AD94-3180E51BCA68

Benzyl alcohol, certified reference material, TraceCERT(R)

Benzyl alcohol, European Pharmacopoeia (EP) Reference Standard

Benzyl alcohol, puriss. p.a., ACS reagent, >=99.0% (GC)

Benzyl alcohol, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H

Benzyl alcohol, Pharmaceutical Secondary Standard; Certified Reference Material

Benzyl alcohol, puriss., meets analytical specification of Ph.??Eur., BP, NF, 99-100.5% (GC)

StratoSpheres(TM) PL-HMS (Hydroxymethylstyrene) resin, 50-100 mesh, extent of labeling: 2.0 mmol loading, 1 % cross-linked

Microorganism:

Yes

IUPAC name

phenylmethanol

SMILES

C1=CC=C(C=C1)CO

Inchi

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

Formula

C₇H₈O

PubChem ID

244

Molweight

108.14

LogP

1.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aromatic alcohols alcohols benzenoids

CHEBI-ID

17987

Supernatural-ID

SN0420832

mVOC Specific Details

Boiling Point

Degree	Reference
205.3 °C peer reviewed

Volatilization

The Henry's Law constant for benzyl alcohol is 3.37X10-7 atm cu m/mole(1). This Henry's Law constant indicates that benzyl alcohol is expected to be essentially nonvolatile from water and moist soil surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 113 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 825 days(SRC). Benzyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.4X10-2 mm Hg(3).
Literature: (1) Abraham MH et al; J Pharm Sci 83: 1085-100 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

Soil Adsorption

Experimental Koc values for benzyl alcohol were <5 for three different soils; Apison (0.11% organic carbon), Fullerton (0.06% organic carbon), and Dormont (1.2% organic carbon)(1). An experimental Koc of 15 was determined for benzyl alcohol on a red-brown Australian soil (1.09% organic carbon)(2,3). A log Koc of 1.43 has also been reported(4). According to a classification scheme(5), these Koc values suggest that benzyl alcohol is expected to have very high mobility in soil.
Literature: (1) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (2) Briggs GG; Aust J Soil Res 19: 61-8 (1981) (3) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (4) Xu F et al; J Environ Qual 30: 1618-23 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.094 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 22630

MS-MS Spectrum 226457

MS-MS Spectrum 22628

MS-MS Spectrum 2197 - Quattro_QQQ 10V N/A delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2199 - Quattro_QQQ 40V N/A delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2198 - Quattro_QQQ 25V N/A delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 21079

MS-MS Spectrum 21078

MS-MS Spectrum 5847 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 5845 - EI-B (JEOL JMS-01-SG-2) Positive

MS-MS Spectrum 5843 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 21077

MS-MS Spectrum 5846 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 22629

MS-MS Spectrum 5844 - EI-B (HITACHI RMU-6M) Positive

1D-NMR-Links

1D NMR Spectrum 3760

1D NMR Spectrum 4017

1D NMR Spectrum 5039

1D NMR Spectrum 1928 - Varian 500 MHz 1H NMR

1D NMR Spectrum 5040

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001280

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001515

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003298

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006260

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006562

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Eukaryota	Agaricus Essettei		NA	Rapior et al. 2002
Eukaryota	Polyporus Tuberaster		culture collection Takara Shuzo Food Research Laboratories	Kawabe et al. 1994
Prokaryota	Bacillus Muralis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Novosphingobium Lindaniclasticum	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Amyloliquefaciens	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Megaterium	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Eukaryota	Chaetomium Indicum		NA	Moisan et al. 2021
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Prokaryota	Bacillus Subtilis	promote biomass production of Arabidopsis thaliana	rhizosphere of Haloxylon ammodendron	He et al. 2023
Eukaryota	Metschnikowia Reukaufii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Prokaryota	Myxobacterium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
Eukaryota	Phellinus Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Propionibacterium Acidifaciens	as a biomarker for a breath test for detection of caries	NA	Hertel et al. 2016
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Branhamella Catarrhalis		clinic	Preti et al. 2009
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Haemophilus Influenzae		clinic	Preti et al. 2009
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Eukaryota	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Indicum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Serratia Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Almeida et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Eukaryota	Agaricus Essettei		hydro-destillation, solvent extraction, GC-MS	no
Eukaryota	Polyporus Tuberaster	PGY	GC-MS	no
Prokaryota	Bacillus Muralis	NA media	SPME/GC-MS	no
Prokaryota	Novosphingobium Lindaniclasticum	NA media	SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	NA media	SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	NA media	SPME/GC-MS	no
Prokaryota	Bacillus Megaterium	NA media	SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Eukaryota	Chaetomium Indicum	1/5th PDA medium	GC-MS	no
Prokaryota	Escherichia Coli	LB media, rocket lysate, spinach lysate	HS-SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	1/2 MS media	SPME/GC-MS	yes
Eukaryota	Metschnikowia Reukaufii	artificial nectar media	GC-MS	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Eukaryota	Phellinus Sp.	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Propionibacterium Acidifaciens	Brain-Heart-Infusion agar	Tenax-trap/GC-MS	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Branhamella Catarrhalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Bjerkandera Adusta			no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Bacillus Cereus	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Hospita	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Kururiensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Tuber Borchii	None	None	yes
Eukaryota	Tuber Melanosporum	None	None	yes
Eukaryota	Tuber Indicum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Serratia Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Enterobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Escherichia Coli	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no

2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names

2-PHENYLETHANOL

Phenethyl alcohol

Phenylethyl alcohol

60-12-8

Benzeneethanol

Phenylethanol

Benzyl carbinol

Phenethanol

2-Phenylethyl alcohol

2-PHENYL-ETHANOL

beta-Phenylethanol

2-Phenethyl alcohol

Benzylmethanol

2-Phenylethan-1-Ol

Benzylcarbinol

Methanol, benzyl-

2-Hydroxyethylbenzene

1-Phenyl-2-ethanol

Ethanol, 2-phenyl-

FEMA No. 2858

2-PEA

Benzenethanol

Phenethylalcohol

Phenyl ethyl alcohol

beta-PEA

beta-Phenylethyl alcohol

beta-Hydroxyethylbenzene

Caswell No. 655C

beta-Fenylethanol

FEMA Number 2858

1321-27-3

beta-Fenethylalkohol

Phenethyl alcohol (natural)

beta-Phenethyl alcohol

HSDB 5002

2-Phenethanol

.beta.-Hydroxyethylbenzene

.beta.-Phenylethyl alcohol

Hydroxyethylbenzene

EINECS 200-456-2

UNII-ML9LGA7468

MFCD00002886

PhenethylAlcohol-d5

EPA Pesticide Chemical Code 001503

NSC 406252

NSC-406252

BRN 1905732

.beta.-Phenylethanol

ML9LGA7468

.beta.-PEA

DTXSID9026342

CHEBI:49000

AI3-00744

(2-Hydroxyethyl)benzene

.beta.-Phenethyl alcohol

Phenylethyl alcohol [USP]

.beta.-(hydroxyethyl)benzene

DTXCID206342

EC 200-456-2

4-06-00-03067 (Beilstein Handbook Reference)

NSC406252

NCGC00166215-02

Phenylethyl alcohol (USP)

Ethanol, phenyl-

PHENYLETHYL ALCOHOL (II)

PHENYLETHYL ALCOHOL [II]

PHENETHYL ALCOHOL (MART.)

PHENETHYL ALCOHOL [MART.]

Phenyl Ethanol(Natural)

2 Phenylethanol

PHENYLETHYL ALCOHOL (USP-RS)

PHENYLETHYL ALCOHOL [USP-RS]

beta-Fenylethanol [Czech]

2-phenyl ethanol

Carbinol, Benzyl

beta Phenylethanol

CAS-60-12-8

Alcohol, Phenethyl

beta-Fenethylalkohol [Czech]

PEL

SMR000059156

PHENYLETHYL ALCOHOL (USP MONOGRAPH)

PHENYLETHYL ALCOHOL [USP MONOGRAPH]

Alcohol, Phenylethyl

benzene-ethanol

Mellol

phenyl-ethanol

Benzyl-Methanol

2-PhenyIethanol

phenylethyl-alcohol

.beta.-Phenethanol

HY1

.beta.-Fenylethanol

b-Hydroxyethylbenzene

Benzyl ethyl alcohol

2-phenyl-1-ethanol

Benzeneethanol, 9CI

2-phenylethane-1-ol

betaphenylethyl alcohol

.beta.-Fenethylalkohol

2-Phenylethanol, USP

METHANOL, BENZYL

A-PEA

beta -hydroxyethylbenzene

2-Phenylethanol, 99%

.beta.-P.E.A.

(BETA-PEA)

Phenylethyl alcohol, USAN

bmse000659

Phenylethyl, beta- alcohol

2-(2-Hydroxyethyl)benzene

SCHEMBL1838

WLN: Q2R

MLS001066349

MLS001336026

FEMA NUMBER 2858.

PHENETHYL ALCOHOL [MI]

Phenethyl alcohol, 8CI, BAN

CHEMBL448500

beta-(HYDROXYETHYL)BENZENE

PHENETHYL ALCOHOL [FCC]

PHENYLETHYL, B- ALCOHOL

PHENETHYL ALCOHOL [INCI]

BDBM85807

FEMA 2858

HMS2093H05

HMS2233H06

HMS3374P04

Pharmakon1600-01505398

PHENYLETHYL ALCOHOL [FHFI]

PHENYLETHYL ALCOHOL [HSDB]

PHENETHYL ALCOHOL [WHO-DD]

BCP32115

CS-B1821

HY-B1290

NSC_6054

Tox21_113544

Tox21_201322

Tox21_303383

BBL036905

NSC759116

s3703

STL281950

2-Phenylethanol, >=99.0% (GC)

AKOS000249688

Tox21_113544_1

CCG-213419

DB02192

MCULE-8439044075

NSC-759116

CAS_60-12-8

Phenethyl alcohol, >=99%, FCC, FG

NCGC00166215-01

NCGC00166215-03

NCGC00166215-05

NCGC00257347-01

NCGC00258874-01

AC-18484

SBI-0206858.P001

NS00004212

P0084

EN300-19347

C05853

D00192

D70868

Phenethyl alcohol, natural, >=99%, FCC, FG

AB00698274_05

A832606

Q209463

SR-01000763553

Phenylethyl alcohol;Phenethyl alcohol;Benzeneethanol

Q-200318

SR-01000763553-2

0DE4CADC-AB8A-4038-BD6F-EBD009885652

F0001-1575

Z104473586

2-phenylethanol;2-Phenylethyl alcohol;Benzeneethanol;Phenylethanol

InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H

Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard

Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material

19601-20-8

Microorganism:

Yes

IUPAC name

2-phenylethanol

SMILES

C1=CC=C(C=C1)CCO

Inchi

InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Formula

C₈H₁₀O

PubChem ID

6054

Molweight

122.16

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic alcohols alcohols aromatic compounds benzenoids

CHEBI-ID

49000

Supernatural-ID

SN0418058

mVOC Specific Details

Boiling Point

Degree	Reference
218.2 °C peer reviewed

Volatilization

The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)

Soil Adsorption

Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000994

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001564

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006570

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Eukaryota	Candida Dubliniensis	NA	NA	Martins et al. 2007
Eukaryota	Candida Albicans	NA	NA	Martins et al. 2007
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Eukaryota	Candida Albicans	NA	NA	Perl et al. 2011
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Streptococcus Agalactiae	NA	NA	Jünger et al. 2012
Prokaryota	Mycobacterium Bovis	NA	NA	McNerney et al. 2012
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Eukaryota	Pythium Oligandrum	N/A	Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.	Sheikh et al. 2023
Prokaryota	Corynebacterium Accolens		clinical isolate	Lemfack et al. 2016
Prokaryota	Corynebacterium Jeikeium		clinical isolate	Lemfack et al. 2016
Prokaryota	Corynebacterium Minutissimum		clinical isolate,trunk of adult female	Lemfack et al. 2016
Prokaryota	Corynebacterium Striatum		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Schleiferi		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Sciuri		Southernflying squirrel skin	Lemfack et al. 2016
Prokaryota	Staphylococcus Sciuri		clinical isolate	Lemfack et al. 2016
Prokaryota	Erwinia Amylovora		NA	Cellini et al. 2018
Prokaryota	Bacillus Acidiceler		NA	Méndez-Bravo et al. 2018
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Hypoxylon Invadens		NA	Dickschat et al. 2018
Eukaryota	Saccharomyces Cerevisiae		NA	Caballero Ortiz et al. 2018
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Vibrio Parahaemolyticus		China Center of Industrial Culture collection	Wang et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Eukaryota	Aureobasidium Pullulans		NA	Contarino et al. 2019
Eukaryota	Metschnikowia Pulcherrima		NA	Contarino et al. 2019
Eukaryota	Saccharomyces Cerevisiae		NA	Contarino et al. 2019
Eukaryota	Wickerhamomyces Anomalus		NA	Contarino et al. 2019
Eukaryota	Candida Sake		King George Island, South Shetland Islands, Antarctica	Arrarte et al. 2017
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Prokaryota	Proteus Vulgaris		rhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)	Yu et al. 2013
Prokaryota	Bacillus Subtilis			Zhang et al. 2021
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Pseudomonas Pseudoalcaligenes	promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize	Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad	Yasmin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Stenotrophomonas Maltophilia	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Staphylococcus Pasteuri	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	fruits of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Arthrobacter Ureafaciens	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Pantoea Vagans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Arthrobacter Phenanthrenivorans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Rahnella Aquatilis	antifungal activity on the mycelial growth of Colletotrichum gloeosporioides	isolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of China	Kong et al. 2020
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Prokaryota	Streptomyces Philanthi	antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4	NA	Boukaew and Prasertsan 2020
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Eukaryota	Malassezia Globosa		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Restricta		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Malassezia Sympodialis		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Prokaryota	Bacillus Cereus	promote fungal hypocrellin A production in Shiraia sp. S9	isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
Eukaryota	Metschnikowia Reukaufii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Debaryomyces Hansenii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Blollopis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Sp.	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Capitatum	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Rhodotorula Mucilaginosa	inhibitory and promoting effects on the growth of different microorganisms	isolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Sporidiobolus Salmonicolor	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystobasidium Laryngis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Cerasticum arcticum, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Prokaryota	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Preti et al. 2009
Eukaryota	Hypoxylon Anthochroum		NA	Ulloa-Benítez et al. 2016
Eukaryota	Fusarium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Aspergillus Sp.		NA	Seifert and King 1982
Eukaryota	Penicillium Sp.		NA	Brock and Dickschat 2013
Eukaryota	Trichoderma Sp.		NA	Stoppacher et al. 2010
Eukaryota	Chaetomium Globosum		NA	Kikuchi et al. 1983
Eukaryota	Lasiodiplodia Theobromae		NA	Matsumoto and Nago 1994
Eukaryota	Tuber Sp.		NA	Splivallo et al. 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Roseobacter Clade	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Staphylococcus Xylosus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Citrobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Escherichia Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Arctic Bacterium	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomycetes Sp.	n/a	NA	Stritzke et al. 2004
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Loktanella Sp.	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Dinoroseobacter Shibae	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Odorifera	n/a	NA	Weise et al. 2014
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Cepacia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sordidicola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Eukaryota	Tuber Melanosporum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Tuber Indicum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Saccharomyces Cerevisiae	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Eukaryota	Aureobasidium Pullulans		apples	Davis et al. 2012
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Enterobacter Agglomerans		NA	Robacker and Lauzon 2002
Eukaryota	Penicillium Corymbiferum		NA	Pierce et al. 1991
Eukaryota	Scopulariopsis Brevicaulis		NA	Pierce et al. 1991
Eukaryota	Fusarium Sp.		NA	Pierce et al. 1991
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Eukaryota	Aureobasidium Pullulans	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al. 2012
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Periconia Britannica	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Burkholderia Cepacia		Rhizosphere	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis		Rhizosphere	Blom et al. 2011
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Branhamella Catarrhalis		clinic	Preti et al. 2009
Prokaryota	Stenotrophomonas Maltophilia		clinic	Preti et al. 2009
Eukaryota	Hansenula Holstii		whole beetles, beetle guts, loblolly pine	Brand et al. 1977
Eukaryota	Phoma Sp.	n/a	NA	Strobel et al. 2011
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Eukaryota	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al. 2011
Eukaryota	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Eukaryota	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Prokaryota	Serratia Plymuthica	n/a	NA	Kai et al. 2007
Prokaryota	Staphylococcus Epidermidis	n/a	NA	Kai et al. 2007
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Kai et al. 2007
Prokaryota	Enterobacter Cloacae	n/a	NA	Arnold and Senter 1998
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Arnold and Senter 1998
Prokaryota	Proteus Hauseri	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Eukaryota	Phellinus Sp.	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Eukaryota	Muscodor Albus	n/a	NA	Corcuff et al. 2011
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Prokaryota	Azospirillum Brasilense	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Escherichia Coli	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Eukaryota	Trichoderma Virens		NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride		NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei		NA	Crutcher et al. 2013
Eukaryota	Phoma Sp.	na	na	Naznin et al. 2014
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Andauensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Saccharicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Ge et al. 2021
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Achromobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Serratia Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Almeida et al. 2022
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Saccharomyces Eubayanus	NA	NA	Urbina et al. 2020
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2020
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Hanseniaspora Valbyensis	NA	NA	Tran et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024
	Cyberlindnera Fabianii			Ma et al. 2023
	Debaryomyces Hansenii			Li et al. 2023
	Citrobacter Freundii			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	DMEM	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Eukaryota	Candida Dubliniensis	RPMI	SPME/GC-MS	no
Eukaryota	Candida Albicans	RPMI	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Eukaryota	Candida Albicans	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Streptococcus Agalactiae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Mycobacterium Bovis	LG + glycerol	TD/GC-MS and SIFT-MS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
Prokaryota	Corynebacterium Accolens	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Corynebacterium Jeikeium	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Corynebacterium Minutissimum	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Corynebacterium Striatum	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Schleiferi	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Sciuri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Prokaryota	Bacillus Acidiceler	LB agar	SPME / GS-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Eukaryota	Saccharomyces Cerevisiae	medium malt extract agar ± Sucrose	HS-SPME, GC-MS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Vibrio Parahaemolyticus	Sodium chloride broth	SPME, GC-MS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	yes
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Candida Sake	Yeast Nitrogen base with 1% pectin	SPME / GCMS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Proteus Vulgaris	LB agar	SPME, GC-MS	no
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	TYB media	GC-MS	no
Prokaryota	Staphylococcus Pasteuri	TYB media	GC-MS	no
Prokaryota	Arthrobacter Ureafaciens	TYB media	GC-MS	no
Prokaryota	Pantoea Vagans	TYB media	GC-MS	no
Prokaryota	Arthrobacter Phenanthrenivorans	TYB media	GC-MS	no
Prokaryota	Rahnella Aquatilis	LB media	HS-SPME/GC-MS	yes
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Prokaryota	Streptomyces Philanthi	sterile wheat seeds	GC-MS	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Restricta	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Sympodialis	modified Dixon agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	yes
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	no
Eukaryota	Metschnikowia Reukaufii	artificial nectar media	GC-MS	no
Eukaryota	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Blollopis	artificial nectar media	GC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Sp.	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Capitatum	artificial nectar media	GC-MS	no
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	no
Eukaryota	Rhodotorula Mucilaginosa	artificial nectar media	GC-MS	no
Eukaryota	Sporidiobolus Salmonicolor	artificial nectar media	GC-MS	no
Eukaryota	Cystobasidium Laryngis	artificial nectar media	GC-MS	no
Prokaryota	Staphylococcus Aureus	blood/choclate agar	GC-Ms flame photometric detector	no
Prokaryota	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Hypoxylon Anthochroum			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Aspergillus Sp.			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Trichoderma Sp.			no
Eukaryota	Chaetomium Globosum			no
Eukaryota	Lasiodiplodia Theobromae			no
Eukaryota	Tuber Sp.			no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Roseobacter Clade	n/a	n/a	no
Prokaryota	Staphylococcus Xylosus	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Citrobacter Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Escherichia Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Arctic Bacterium	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Antibioticus	n/a	n/a	no
Prokaryota	Streptomyces Diastatochromogenes	n/a	n/a	no
Prokaryota	Streptomyces Griseus	n/a	n/a	no
Prokaryota	Streptomyces Hirsutus	n/a	n/a	no
Prokaryota	Streptomyces Hygroscopicus	n/a	n/a	no
Prokaryota	Streptomyces Murinus	n/a	n/a	no
Prokaryota	Streptomyces Olivaceus	n/a	n/a	no
Prokaryota	Streptomyces Thermoviolaceus	n/a	n/a	no
Prokaryota	Streptomycetes Sp.	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Dinoroseobacter Shibae	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Odorifera	NBII	Headspace trapping/ GC-MS	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Borchii	n/a	n/a	no
Prokaryota	Bacillus Cereus	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Cepacia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Hospita	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Kururiensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sordidicola	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	YEPDA	GC/MS	no
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Eukaryota	Aureobasidium Pullulans	Sabouraud dextrose agar	GC-MS	yes
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Enterobacter Agglomerans			no
Eukaryota	Penicillium Corymbiferum		GC-FID	yes
Eukaryota	Scopulariopsis Brevicaulis		GC-FID	yes
Eukaryota	Fusarium Sp.		GC-FID	yes
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Eukaryota	Aureobasidium Pullulans	Sabouraud Dextrose Agar	GC/FID	yes
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Periconia Britannica	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Prokaryota	Burkholderia Cepacia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Burkholderia Kururiensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Branhamella Catarrhalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Hansenula Holstii	PYG	GC-MS	no
Eukaryota	Phoma Sp.	n/a	Solid phase microextraction (SPME)	no
Prokaryota	Staphylococcus Sciuri	877 liquid medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Eukaryota	Phomopsis Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Serratia Plymuthica	n/a	n/a	no
Prokaryota	Staphylococcus Epidermidis	n/a	n/a	no
Prokaryota	Stenotrophomonas Rhizophila	n/a	n/a	no
Prokaryota	Enterobacter Cloacae		HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa		HS-SPME/GC-MS	no
Prokaryota	Proteus Hauseri	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Eukaryota	Phellinus Sp.	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Eukaryota	Muscodor Albus	n/a	Headspace sampler/GC-MS	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Phoma Sp.	na	SPME-GC/MS	no
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	yes
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Andauensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Saccharicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	grape juice	LC-15C HPLC	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Achromobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Serratia Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Enterobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Escherichia Coli	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS-SPME-GC-MS	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS‐GC‐FID	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
Eukaryota	Hanseniaspora Valbyensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no
	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
	Debaryomyces Hansenii	meat with pork lard	GC-MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

Benzene;ethanol

Compound Details

Synonymous names

benzene ethanol

ethanol benzene

ethanol-benzene

benzene EtOH

SCHEMBL137177

WVHBHPATSLQXGC-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

benzene;ethanol

SMILES

CCO.C1=CC=CC=C1

Inchi

InChI=1S/C6H6.C2H6O/c1-2-4-6-5-3-1;1-2-3/h1-6H;3H,2H2,1H3

Formula

C₈H₁₂O

PubChem ID

21965192

Molweight

124.18

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols benzenoids aromatic compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Bacillus Simplex	n/a	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	n/a	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	n/a	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	n/a	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	n/a	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	n/a	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	n/a	NA	Gu et al. 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Mycoides	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no

2H-benzotriazole

Mass-Spectra

Compound Details

Synonymous names

1H-Benzotriazole

Benzotriazole

95-14-7

1,2,3-BENZOTRIAZOLE

1H-Benzo[d][1,2,3]triazole

2H-Benzotriazole

Azimidobenzene

1H-1,2,3-Benzotriazole

Aziminobenzene

Benztriazole

Benzisotriazole

Benzene azimide

Cobratec #99

2,3-Diazaindole

1,2-Aminoazophenylene

1,2,3-Triazaindene

2H-benzo[d][1,2,3]triazole

Cobratec 99

273-02-9

1,2,-Aminozophenylene

1,2,3-Triaza-1H-indene

Cobratec 35G

NSC-3058

1,2,3-1h-benzotriazole

Verzone Crystal

NCI-C03521

Kemitec TT

Rusmin R

Seetec BT

CCRIS 78

27556-51-0

DTXSID6020147

U-6233

CHEBI:75331

HSDB 4143

EINECS 202-394-1

UNII-86110UXM5Y

BRN 0112133

AI3-15984

86110UXM5Y

MFCD00005699

DTXCID00147

EC 202-394-1

4-26-00-00093 (Beilstein Handbook Reference)

1H-Benzotriazol

Benzotriazole (VAN)

Entek

BtaH

CAS-95-14-7

Pseudoazimidobenzene

Irgastab I 489

1,2,3-Benzotriazole,1H-benzo[d][1,2,3]triazole

azaindazole

benzotriazol

ISK 3

aza-indazole

3uzj

1 h-benzotriazole

1,3-Triazaindene

0CT

1,3-Benzotriazole

Cobratec No. 99

1,2-Aminozophenylene

1,2,3-Benztriazole

1H-1,3-Benzotriazole

1,3-Triaza-1H-indene

1H-Benzotriazole (VAN8C

WLN: T56 BMNNJ

SCHEMBL8956

1H-BT

BENZOTRIAZOLE [INCI]

MLS002302971

CHEMBL84963

1H-benzo-[1,2,3]triazole

D 32-108

1H-BENZOTRIAZOLE [MI]

BDBM36293

NSC3058

Benzotriazole, analytical standard

HMS3091M10

AMY37120

Benzotriazole, reagent grade, 97%

CS-D1407

HY-Y0688

STR01561

Tox21_201501

Tox21_302934

BDBM50234613

STL281967

Benzotriazole, ReagentPlus(R), 99%

1,2,3-BENZOTRIAZOLE [HSDB]

1H-Benzotriazole, >=98.0% (N)

4-HYDROXY-2-METHOXYBENZYLAMINE

AKOS000119181

AKOS025396849

MCULE-2848618742

PS-3644

NCGC00091322-01

NCGC00091322-02

NCGC00091322-03

NCGC00256574-01

NCGC00259052-01

BP-21454

SMR001252218

DB-022595

B0094

NS00010261

Benzotriazole, Vetec(TM) reagent grade, 98%

EN300-17964

D77352

AB00374479-06

AC-907/34124039

Q220672

W-100172

Z57127352

F2190-0645

InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9

BTR

Microorganism:

Yes

IUPAC name

2H-benzotriazole

SMILES

C1=CC2=NNN=C2C=C1

Inchi

InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)

Formula

C₆H₅N₃

PubChem ID

7220

Molweight

119.12

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

nitrogen compounds benzenoids heterocyclic compounds aromatic compounds triazoles

CHEBI-ID

75331

Supernatural-ID

SN0313470

mVOC Specific Details

Boiling Point

Degree	Reference
204 °C peer reviewed

Volatilization

The Henry's Law constant for 1,2,3- benzotriazole is estimated as 3.2X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 0.04 mm Hg(1), and water solubility, 19,800 mg/l(1). This Henry's Law constant indicates that 1,2,3-benzotriazole is expected to be essentially nonvolatile from water surfaces(2). 1,2,3-Benzotriazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1). The pKa of benzotriazole is 8.37(3), indicating that this compound will exist in the cation form in the environment. Volatilization from dry or moist soil surfaces is not expected to be an important fate process because the cation is not expected to volatilize.
Literature: (1) Davis LN et al; Investigation of selected potential environmental contaminants: benzotriazoles. Washington, DC: USEPA-560/ 2-77-001 (1977) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Serjeant EP Dempsey B; Ionisation constants of organic acids in aqueous solution; IUPAC Chemical Data Series, no 23. NY, NY; Pergamon Press p. 159 (1979)

Soil Adsorption

The Koc of 1,2,3-benzotriazole is estimated as 145(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggests that 1,2,3- benzotriazole is expected to have high mobility in soil. However, mobility of 1,2,3-benzotriazole will be affected by pH(2): the pKa of benzotriazole is 8.37(4), indicating that this compound will exist in the cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 18 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP Dempsey B; Ionisation constants of organic acids in aqueous solution; IUPAC Chemical Data Series, no 23. NY, NY; Pergamon Press p. 159 (1979)

Vapor Pressure

Pressure	Reference
4.0X01-2 mm Hg @ 20 deg C	Davis LN et al; Investigation of selected potential environmental contaminants: benzotriazoles. USEPA-560/2-77-001. Washington, DC: US EPA (1977)

Massbank-Links

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Massbank Spectrum MSBNK-BAFG-CSL23111015794

Massbank Spectrum MSBNK-BAFG-CSL23111015795

Massbank Spectrum MSBNK-BAFG-CSL23111015796

Massbank Spectrum MSBNK-BAFG-CSL23111015797

Massbank Spectrum MSBNK-BAFG-CSL23111015798

Massbank Spectrum MSBNK-CASMI_2016-SM819701

Massbank Spectrum MSBNK-CASMI_2016-SM879903

Massbank Spectrum MSBNK-Eawag-EA016601

Massbank Spectrum MSBNK-Eawag-EA016602

Massbank Spectrum MSBNK-Eawag-EA016603

Massbank Spectrum MSBNK-Eawag-EA016604

Massbank Spectrum MSBNK-Eawag-EA016605

Massbank Spectrum MSBNK-Eawag-EA016606

Massbank Spectrum MSBNK-Eawag-EA016607

Massbank Spectrum MSBNK-Eawag-EA016608

Massbank Spectrum MSBNK-Eawag-EA016609

Massbank Spectrum MSBNK-Eawag-EA016610

Massbank Spectrum MSBNK-Eawag-EA016611

Massbank Spectrum MSBNK-Eawag-EA016612

Massbank Spectrum MSBNK-Eawag-EA016613

Massbank Spectrum MSBNK-Eawag-EA016614

Massbank Spectrum MSBNK-Eawag-EA016651

Massbank Spectrum MSBNK-Eawag-EA016652

Massbank Spectrum MSBNK-Eawag-EA016653

Massbank Spectrum MSBNK-Eawag-EA016654

Massbank Spectrum MSBNK-Eawag-EA016655

Massbank Spectrum MSBNK-Eawag-EA016656

Massbank Spectrum MSBNK-Eawag-EA016657

Massbank Spectrum MSBNK-Eawag-EA016658

Massbank Spectrum MSBNK-Eawag-EA016659

Massbank Spectrum MSBNK-Eawag-EA016660

Massbank Spectrum MSBNK-Eawag-EA016661

Massbank Spectrum MSBNK-Eawag-EA016662

Massbank Spectrum MSBNK-Eawag-EA016663

Massbank Spectrum MSBNK-Eawag-EA016664

Massbank Spectrum MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00161

Massbank Spectrum MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00162

Massbank Spectrum MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00163

Massbank Spectrum MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00165

Massbank Spectrum MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00166

Massbank Spectrum MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00167

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP011064

Massbank Spectrum MSBNK-KWR-KW107802

Massbank Spectrum MSBNK-KWR-KW107803

Massbank Spectrum MSBNK-KWR-KW107804

Massbank Spectrum MSBNK-LCSB-LU063401

Massbank Spectrum MSBNK-LCSB-LU063402

Massbank Spectrum MSBNK-LCSB-LU063403

Massbank Spectrum MSBNK-LCSB-LU063404

Massbank Spectrum MSBNK-LCSB-LU063405

Massbank Spectrum MSBNK-LCSB-LU063406

Massbank Spectrum MSBNK-LCSB-LU063451

Massbank Spectrum MSBNK-LCSB-LU063452

Massbank Spectrum MSBNK-LCSB-LU063453

Massbank Spectrum MSBNK-LCSB-LU063454

Massbank Spectrum MSBNK-LCSB-LU063455

Massbank Spectrum MSBNK-LCSB-LU063456

Massbank Spectrum MSBNK-UFZ-UA000201

Massbank Spectrum MSBNK-UFZ-UA000202

Massbank Spectrum MSBNK-UFZ-UA000203

Massbank Spectrum MSBNK-UFZ-UF417701

Massbank Spectrum MSBNK-UFZ-UF417702

Massbank Spectrum MSBNK-UFZ-UF417703

Massbank Spectrum MSBNK-UFZ-UF417704

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Sp.	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Cepacia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Bacillus Cereus		Rhizosphere	Blom et al. 2011
Prokaryota	Burkholderia Cepacia		Rhizosphere	Blom et al. 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Sp.	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Anthina	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Cepacia	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Hospita	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Bacillus Cereus	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Burkholderia Cepacia	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes

2-methylsulfanylethanol

Mass-Spectra

Compound Details

Synonymous names

2-(Methylthio)ethanol

5271-38-5

2-methylsulfanylethanol

Ethanol, 2-(methylthio)-

2-Hydroxyethyl methyl sulfide

2-methylthioethanol

Methylthioethanol

2-Methylmercaptoethanol

2-(Methylsulfanyl)ethanol

Hydroxyethyl methyl sulfide

S-Methylmercaptoethanol

2-methylsulfanyl-ethanol

2-(Methylthio) Ethanol

Methyl 2-hydroxyethyl sulfide

2-(methylsulfanyl)ethan-1-ol

beta-Hydroxyethyl methyl sulfide

beta-Methylmercaptoethanol

1-Hydroxy-2-(methylthio)-ethane

methylmercaptoethanol

2-MethyIthioethanol

2-(methylthio)-ethanol

beta-(Methylthio)ethanol

NSC 1902

2-(Methylmercapto)ethanol

.beta.-Methylmercaptoethanol

5K6TOE95UY

CHEMBL277871

CHEBI:63861

NSC-1902

2-methylthio ethanol

UNII-5K6TOE95UY

2-Hydroxyethylmethyl sulfide

EINECS 226-090-3

MFCD00002908

Ethanol, 2-methylthio

2-methylsulphanylethanol

AI3-17419

(2-methylsulfanyl)ethanol

2-hydroxyethyl-methylsulfid

.beta.-(Methylthio)ethanol

2-Hydroxyethyl-methylsulfide

2-(Methylsulfanyl)ethanol #

2-(Methylthio)ethanol, 99%

4-Hydroxypiperidinehydrochloride

METHYLSULFANYL-1-ETHANOL

FEMA NO. 4004

WBBPRCNXBQTYLF-UHFFFAOYSA-

DTXSID90200678

NSC1902

2-(Methylthio)ethanol, >=99%

.beta.-Hydroxyethyl methyl sulfide

2-(METHYLTHIO)ETHYL ALCOHOL

AMY19250

BDBM50026479

2-(METHYLTHIO)ETHANOL [FHFI]

AKOS009075584

MCULE-9706874325

SB83788

AS-57506

DB-003209

A7819

CS-0150086

M0358

NS00022295

EN300-95780

A829220

Q27132867

2-(Methylmercapto)ethanol 2-Hydroxyethyl methyl sulfide

InChI=1/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

Z149154880

Microorganism:

Yes

IUPAC name

2-methylsulfanylethanol

SMILES

CSCCO

Inchi

InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

Formula

C₃H₈OS

PubChem ID

78925

Molweight

92.16

LogP

0.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols sulfides sulfur compounds thioethers

CHEBI-ID

63861

Supernatural-ID

SN0405512

mVOC Specific Details

Boiling Point

Degree	Reference
169 median

MS-Links

MS-MS Spectrum 99986

MS-MS Spectrum 165212

MS-MS Spectrum 99985

MS-MS Spectrum 165211

MS-MS Spectrum 165210

MS-MS Spectrum 99984

1D-NMR-Links

1D NMR Spectrum 4486

1D NMR Spectrum 4613

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002225

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Klebsiella Pneumoniae	NA	NA	Jünger et al. 2012
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	Staphylococcus Aureus	NA	NA	Jünger et al. 2012
Prokaryota	Streptococcus Agalactiae	NA	NA	Jünger et al. 2012
Prokaryota	Bacillus Cereus	promote fungal hypocrellin A production in Shiraia sp. S9	isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
Prokaryota	Alcaligenes Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Bacillus Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Citrobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	n/a	NA	Schulz and Dickschat 2007
	Saccharomyces Cerevisiae			Peng et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Klebsiella Pneumoniae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Staphylococcus Aureus	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Streptococcus Agalactiae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	no
Prokaryota	Alcaligenes Sp.	n/a	n/a	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Citrobacter Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Mass-Spectra

Compound Details

Synonymous names

alpha-TERPINEOL

Terpineol

98-55-5

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

p-Menth-1-en-8-ol

8000-41-7

dl-alpha-Terpineol

1-p-Menthen-8-ol

Terpenol

Terpineol 350

1-Menthene-8-ol

Terpineol schlechthin

CARVOMENTHENOL

TERPINEOLS

.alpha.-Terpineol

Terpilenol, alpha-

8006-39-1

FEMA No. 3045

FEMA Number 3045

alpha-Terpineol (natural)

1-Methyl-4-isopropyl-1-cyclohexen-8-ol

2-(4-Methyl-3-cyclohexenyl)-2-propanol

alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol

ALFA-TERPINEOL

alpha-Terpinenol

CCRIS 3204

HSDB 5316

1-Methyl-4-isopropyl-1-cyclohexene-8-ol

EINECS 202-680-6

EINECS 219-448-5

NSC 21449

PC 593

UNII-21334LVV8W

BRN 1906604

DTXSID5026625

CHEBI:22469

AI3-00275

21334LVV8W

MFCD00001557

NSC-21449

NSC-403665

DTXCID406625

MIL-350

1-alpha-terpineol

EC 202-680-6

PC-593

(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol

NCGC00164431-01

DSSTox_CID_6625

alpha-TERPINEOL (PROPYL METHYL-D3)

68797-63-7

DSSTox_RID_79596

DSSTox_GSID_40775

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-

Terpene alcohol

alpha-Terpineol, analytical standard

Menth-1-en-8-ol

2-(4-methylcyclohex-3-enyl)propan-2-ol

CAS-8000-41-7

3-Cyclohexene-1-methanol,.alpha.4-trimethyl-

3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-

Caswell No. 823

TERPIN MONOHYDRATE IMPURITY A (EP IMPURITY)

TERPIN MONOHYDRATE IMPURITY A [EP IMPURITY]

UNII-R53Q4ZWC99

-terpineol

Alfa_terpineol

MFCD00075926

alpha -Terpineol

DL a-terpineol

alphaTERPINEOL

Menthen-8-ol

203633-12-9

EINECS 232-268-1

EPA Pesticide Chemical Code 067005

1-p-Menthen-8-

.ALPHA.TERPINEOL

TERPINEOL, ALPHA

(+)-.alpha.-Terpineol

alpha-TERPINEOL (II)

3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-

EC 232-268-1

alpha-Terpineol, AldrichCPR

SCHEMBL28466

ALPHA-TERPINEOL [FCC]

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-

ALPHA-TERPINEOL [HSDB]

CHEMBL449810

R53Q4ZWC99

.ALPHA.-TERPINEOL [II]

.ALPHA.-TERPINEOL [MI]

ALFA-TERPINEOL [WHO-DD]

>80.0%(GC,sum of isomers)

.ALPHA.-TERPINEOL [FHFI]

HY-N5142

NSC21449

Tox21_112118

Tox21_200112

Tox21_302298

c0669

MFCD00166983

NSC403665

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-

AKOS015840815

alpha-Terpineol, 90%, technical grade

MCULE-9798755896

SB45068

CAS-98-55-5

USEPA/OPP Pesticide Code: 067003

NCGC00248528-01

NCGC00255464-01

NCGC00257666-01

SY117295

alpha-Terpineol 1000 microg/mL in Acetone

DB-059206

+/--Terpineol 1000 microg/mL in n-Hexane

CS-0032554

NS00002240

T0022

T0984

2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol

D70165

EN300-125883

(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol

(S)-2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol

SR-01000944873

J-500272

SR-01000944873-1

W-100076

3-cyclohexene-1-methanol, alpha, alpha, 4-trimethyl-

Q27109437

F0001-2319

Flavor and Extract Manufacturers' Association No. 3045

Z1255427148

alpha-Terpineol, primary pharmaceutical reference standard

3-CYCLOHEXENE-1-METHANOL, ALPHA., alpha, 4-TRIMETHYL-

3-CYCLOHEXENE-1-METHANOL, ALPHA., .ALPHA., 4-TRIMETHYL-

3-CYCLOHEXENE-1-METHYANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)-

22347-88-2

Microorganism:

Yes

IUPAC name

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

SMILES

CC1=CCC(CC1)C(C)(C)O

Inchi

InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

Formula

C₁₀H₁₈O

PubChem ID

17100

Molweight

154.25

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

22469

Supernatural-ID

SN0420414

mVOC Specific Details

Boiling Point

Degree	Reference
218 °C peer reviewed

Volatilization

The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-terpineol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 20 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Solubility

1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.0423 mm Hg at 24 deg C	Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Escherichia Coli	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Serratia Proteamaculans	n/a	n/a	no
Prokaryota	Pseudomonas Fragi	n/a	n/a	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

(methyltrisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names

Dimethyl trisulfide

3658-80-8

Trisulfide, dimethyl

Methyl trisulfide

DIMETHYLTRISULFIDE

2,3,4-Trithiapentane

Dimethyl trisulphide

(methyltrisulfanyl)methane

dimethyltrisulfane

DMTS

FEMA No. 3275

CH3SSSCH3

3E691T3NL1

NSC-97324

UNII-3E691T3NL1

Dimethyl trisufide

EINECS 222-910-9

2,4-Trithiapentane

NSC 97324

trisulfane, dimethyl-

1,3-Dimethyltrisulfane

AI3-26172

1,3-Dimethyltrisulfane #

SCHEMBL446658

methylsulfanyldisulfanyl-methane

CHEBI:4614

DTXSID9063118

DIMETHYL TRISULFIDE [FHFI]

Dimethyl trisulfide, >=98%, FG

NSC97324

MFCD00039808

NSC801680

s6311

AKOS015897465

NSC-801680

2,3,4-Trithiapentane; NSC 97324

Dimethyl trisulfide, analytical standard

BS-43830

1,3-Dimethyltrisulfane (ACD/Name 4.0)

DB-003633

HY-128454

CS-0099182

D3418

NS00022106

C08372

D90187

InChI=1/C2H6S3/c1-3-5-4-2/h1-2H

A823301

Q-100435

Q5277321

FLAMMABLE LIQUID, N.O.S. (DIMETHYL TRISULPHIDE)

Microorganism:

Yes

IUPAC name

(methyltrisulfanyl)methane

SMILES

CSSSC

Inchi

InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3

Formula

C₂H₆S₃

PubChem ID

19310

Molweight

126.3

LogP

1.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfides sulfur compounds

CHEBI-ID

4614

Supernatural-ID

SN0462017

mVOC Specific Details

MS-Links

MS-MS Spectrum 155616

MS-MS Spectrum 49154

MS-MS Spectrum 155618

MS-MS Spectrum 155617

MS-MS Spectrum 49152

MS-MS Spectrum 49153

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000914

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Burkholderia Cepacia	NA	NA	NA
Prokaryota	Escherichia Coli	NA	NA	Lawal et al. 2018a
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Haemophilus Influenzae	NA	NA	Filipiak et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Neerincx et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Lawal et al. 2018a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	NA
Prokaryota	Pseudomonas Fluorescens	NA	NA	NA
Prokaryota	Pseudomonas Putida	NA	NA	NA
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Prokaryota	Shewanella Putrefaciens	NA	NA	NA
Prokaryota	Staphylococcus Aureus	NA	NA	Boots et al. 2014
Prokaryota	Staphylococcus Aureus	NA	NA	Lawal et al. 2018a
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	NA
Prokaryota	Streptococcus Pneumoniae	NA	NA	Filipiak et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Pseudomonas Putida	inhibitory activity against oomycete and fungal pathogens, antibacterial activity against R. pseudosolanacearum, dimethyl trisulphide nematicidal activity against R. similis, effect against Phytophthora rot on black pepper shoot cuttings	Black pepper root	Agisha et al. 2019
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
Prokaryota	Hyphomonas Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Rhizobium Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Bacillus Muralis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Novosphingobium Lindaniclasticum	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Megaterium	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Protegens	inhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)	NA	Prigigallo et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Prokaryota	Chromobacterium Vaccinii	antifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001	isolate from cultivated cranberry bog soils in Massachusetts (USA)	Ebadzadsahrai et al. 2020
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Prokaryota	Lactococcus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Oxytoca	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Serratia Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Rishiriensis	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Albus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Pseudomonas Fluorescens	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Corrugata	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Chlororaphis	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Aurantiaca	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Loktanella Sp.	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Dinoroseobacter Shibae	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al. 2008
Eukaryota	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Eukaryota	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Cepacia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glathei	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Cupriavidus Necator	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Enterococcus Durans		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Lactobacillus Lactis		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Leuconostoc Mesenteroides		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Listeria Monocytogenes		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptococcus Thermophilus		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017
Eukaryota	Fusarium Verticillioides		NA	Dickschat et al. 2011
Eukaryota	Penicillium Sp.		NA	Citron et al. 2012
Prokaryota	Pseudomonas Perolens	na	sterile fish muscle (Sebastes melanops)	Miller et al. 1973
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Prokaryota	Pseudonocardia Thermophila	na	soil	Wilkins 1996
Prokaryota	Saccharomonospora Rectivirgula	na	soil	Wilkins 1996
Prokaryota	Saccharomonospora Viridis	na	soil	Wilkins 1996
Prokaryota	Thermoactinomyces Vulgaris	na	soil	Wilkins 1996
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Prokaryota	Streptomyces Sp.	na	breathing zone of a waste collection worker	Wilkins 1996
Prokaryota	Shewanella Algae	inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidia	sea sediment in east China coast	Gong et al. 2015
Prokaryota	Pseudomonas Putida	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Chlororaphis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Fluorescens	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Chryseobacterium Sp.	inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin production	na	Tyc et al. 2015
Prokaryota	Tsukamurella Sp.	inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin production	na	Tyc et al. 2015
Prokaryota	Dyella Sp.	inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin production	na	Tyc et al. 2015
Prokaryota	Pseudomonas Putida	na	black pepper root	Sheoran et al. 2015
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Tuber Borchii	Aroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatum	na	Splivallo and Ebeler 2015
Prokaryota	Leuconostoc Mesenteroides	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products	NA	Pogačić et al. 2016
Prokaryota	Pseudomonas Putida	positive influence of the plant root growth and protection against soil-borne pathogens	NA	Sheoran et al. 2015
Prokaryota	Burkholderia Cepacia		Rhizosphere	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix		Rhizosphere	Blom et al. 2011
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Prokaryota	Pseudomonas Putida	na	na	Schöller et al. 1997
Prokaryota	Pseudomonas Aeruginosa	na	soil, water, skin flora	Schöller et al. 1997
Prokaryota	Enterobacter Cloacae	na	ubiquitary,intestinal	Schöller et al. 1997
Prokaryota	Leuconostoc Mesenteroides	na	goat cheese	Pogačić et al. 2016
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
Eukaryota	Tuber Magnatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
	Microbacterium			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Burkholderia Cepacia	trypticase soy agar	TD/GC-MS	no
Prokaryota	Escherichia Coli	ASM	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Haemophilus Influenzae	Tryptic soya supp. factors X&V	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Brain Heart Infusion	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	ASM	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Fluorescens	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Putida	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Prokaryota	Shewanella Putrefaciens	trypticase soy agar	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller–Hinton	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	ASM	TD/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	trypticase soy agar	TD/GC-MS	no
Prokaryota	Streptococcus Pneumoniae	Tryptic soya	TD/GC-MS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	head space GC/MS	no
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Hyphomonas Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Rhizobium Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Bacillus Muralis	NA media	SPME/GC-MS	no
Prokaryota	Novosphingobium Lindaniclasticum	NA media	SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	NA media	SPME/GC-MS	no
Prokaryota	Bacillus Megaterium	NA media	SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Protegens	LB agar/PD agar	GC-MS	yes
Eukaryota	Tuber Magnatum		GC-MS-O	no
Prokaryota	Chromobacterium Vaccinii	King media B (KMB)	SBSE-TD-GC×GC-TOF-MS	no
Prokaryota	Staphylococcus Aureus	BHI media, MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Escherichia Coli	rocket lysate	HS-SPME/GC-MS	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Lactococcus Sp.	n/a	n/a	no
Prokaryota	Lactobacillus Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Klebsiella Oxytoca	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Rishiriensis	n/a	n/a	no
Prokaryota	Streptomyces Albus	n/a	n/a	no
Prokaryota	Streptomyces Antibioticus	n/a	n/a	no
Prokaryota	Streptomyces Aureofaciens	n/a	n/a	no
Prokaryota	Streptomyces Coelicolor	n/a	n/a	no
Prokaryota	Streptomyces Diastatochromogenes	n/a	n/a	no
Prokaryota	Streptomyces Griseus	n/a	n/a	no
Prokaryota	Streptomyces Hirsutus	n/a	n/a	no
Prokaryota	Streptomyces Hygroscopicus	n/a	n/a	no
Prokaryota	Streptomyces Olivaceus	n/a	n/a	no
Prokaryota	Streptomyces Thermoviolaceus	n/a	n/a	no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Pseudomonas Aurantiaca	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Dinoroseobacter Shibae	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Bacillus Cereus	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Anthina	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Cepacia	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glathei	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Kururiensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cupriavidus Necator	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Enterococcus Durans	TS broth	GC-MS SPME	yes
Prokaryota	Lactobacillus Lactis	TS broth	GC-MS SPME	yes
Prokaryota	Leuconostoc Mesenteroides	TS broth	GC-MS SPME	yes
Prokaryota	Listeria Monocytogenes	TS broth	GC-MS SPME	yes
Prokaryota	Streptococcus Thermophilus	TS broth	GC-MS SPME	yes
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no
Eukaryota	Fusarium Verticillioides			no
Eukaryota	Penicillium Sp.			no
Prokaryota	Pseudomonas Perolens	Trypticase soil agar (BBL)	GC/MS	no
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Prokaryota	Pseudonocardia Thermophila	Nutrient agar CM3	GC/MS	no
Prokaryota	Saccharomonospora Rectivirgula	Nutrient agar CM3	GC/MS	no
Prokaryota	Saccharomonospora Viridis	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermoactinomyces Vulgaris	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Prokaryota	Streptomyces Sp.	Nutrient agar CM3 + 50mg/l actidione	GC/MS	no
Prokaryota	Shewanella Algae	NA medium	SPME-GC/MS	yes
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Dyella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Headspace GC/MS	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Tuber Borchii	na	SPME-GC/MS/O); GC-R	yes
Prokaryota	Leuconostoc Mesenteroides	Man Rogosa Sharpe broth (MRS)	Tenax-trap/GC-MS	no
Prokaryota	Pseudomonas Putida	TSB	Propak Q adsorbent trap/GC-MS	no
Prokaryota	Burkholderia Cepacia	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Burkholderia Phenoliruptrix	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Prokaryota	Pseudomonas Putida	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Aeruginosa	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Enterobacter Cloacae	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Leuconostoc Mesenteroides	curd-based broth medium	GC/MS	yes
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Eukaryota	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Prokaryota	Pseudomonas Segetis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Phytophthora Cinnamomi	V8 juice agar	SPME/GC-MS/MS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names

Dimethyl disulfide

624-92-0

METHYL DISULFIDE

Dimethyldisulfide

Dimethyl disulphide

DMDS

Disulfide, dimethyl

2,3-Dithiabutane

(Methyldisulfanyl)methane

Methyldisulfide

Methyldithiomethane

(Methyldithio)methane

Sulfa-hitech

dimethyldisulphide

FEMA No. 3536

NSC 9370

1,2-Dimethyldisulfane

CCRIS 2939

HSDB 6400

EINECS 210-871-0

UNII-3P8D642K5E

CHEBI:4608

Dimethyl-d6 disulfide

AI3-25305

3P8D642K5E

NSC-9370

MFCD00008561

DTXSID4025117

(CH3S)2

EC 210-871-0

Paladin

UN2381

dimethydisulfide

methyl disulphide

Dimethyl disulfane

Disulfide dimethyl

MeS-SMe

Disulfide, dimethyl-

methyldisulfanyl methane

Dimethyl disulfide, 98%

Dimethyl disulfide, 99%

(Methyldisulfanyl)methane #

Dimethyl disulfide, >=99%

WLN: 1SS1

DTXCID805117

METHYL DISULFIDE [HSDB]

CHEMBL1347061

Dimethyl disulfide, >=99.0%

DIMETHYL DISULFIDE [FHFI]

NSC9370

BDBM233038

Dimethyl disulfide, >=98%, FG

AMY39506

EINECS 272-923-9

Tox21_201525

AKOS009157459

Dimethyl disulfide, analytical standard

MCULE-7451882535

UN 2381

NCGC00091798-01

NCGC00091798-02

NCGC00259075-01

CAS-624-92-0

Dimethyl disulfide, natural, >=98%, FG

D0714

Dimethyl disulfide, purum, >=98.0% (GC)

NS00001484

EN300-36043

InChI=1/C2H6S2/c1-3-4-2/h1-2H

C08371

E78981

A833808

Dimethyl disulfide [UN2381] [Flammable liquid]

Q419800

Q-100719

F0001-1676

Microorganism:

Yes

IUPAC name

(methyldisulfanyl)methane

SMILES

CSSC

Inchi

InChI=1S/C2H6S2/c1-3-4-2/h1-2H3

Formula

C₂H₆S₂

PubChem ID

12232

Molweight

94.2

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfides sulfur compounds

CHEBI-ID

4608

Supernatural-ID

SN0417328

mVOC Specific Details

Boiling Point

Degree	Reference
109.72 °C peer reviewed

Volatilization

The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)

Vapor Pressure

Pressure	Reference
28.7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 65042

MS-MS Spectrum 65041

MS-MS Spectrum 122360

MS-MS Spectrum 65040

MS-MS Spectrum 122359

MS-MS Spectrum 122358

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005727

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009135

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Chippendale et al. 2014
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Enterococcus Faecalis	NA	NA	Thorn et al. 2011
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Thorn et al. 2011
Prokaryota	Neisseria Meningitidis	NA	NA	Allardyce et al. 2006
Prokaryota	Proteus Mirabilis	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Carroll et al. 2005
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Allardyce et al. 2006
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Allardyce et al. 2006
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Shestivska et al. 2015
Prokaryota	Stenotrophomonas Rhizophila	NA	NA	Shestivska et al. 2015
Prokaryota	Streptococcus Pneumoniae	NA	NA	Allardyce et al. 2006
Prokaryota	Streptococcus Pneumoniae	NA	NA	Scotter et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Burkholderia Cepacia	NA	NA	NA
Eukaryota	Candida Krusei	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Albicans	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Glabrata	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Tropicalis	NA	NA	Hertel et al. 2016a
Prokaryota	Escherichia Coli	NA	NA	Lawal et al. 2018a
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Haemophilus Influenzae	NA	NA	Filipiak et al. 2012
Prokaryota	Klebsiella Pneumoniae	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Neerincx et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Lawal et al. 2018a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	NA
Prokaryota	Pseudomonas Putida	NA	NA	NA
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Prokaryota	Shewanella Putrefaciens	NA	NA	NA
Prokaryota	Staphylococcus Aureus	NA	NA	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Boots et al. 2014
Prokaryota	Staphylococcus Aureus	NA	NA	Lawal et al. 2018a
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	NA
Prokaryota	Streptococcus Pneumoniae	NA	NA	Filipiak et al. 2012
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Prokaryota	Pseudomonas Aeruginosa		NA	Lawal et al. 2018
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
Prokaryota	Bacillus Acidiceler		NA	Méndez-Bravo et al. 2018
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Eukaryota	Fusarium Oxysporum		onion	Wang et al. 2018
Eukaryota	Fusarium Proliferatum		onion	Wang et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Ignatzschineria Indica		pig (Sus scrofa domesticus) carcass	Cernosek et al. 2020
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
Prokaryota	Hyphomonas Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Rhizobium Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Pseudomonas Protegens		NA	Mannaa et al. 2018
Prokaryota	Serratia Marcescens	antifungal activity against Aspergillus flavus	tea rhizosphere in Xinyang, Henan province, China	Gong et al. 2022
Prokaryota	Bacillus Muralis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Pumilus	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Novosphingobium Lindaniclasticum	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Amyloliquefaciens	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Megaterium	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Bacillus Mycoides		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Pseudomonas Pseudoalcaligenes	promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize	Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad	Yasmin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Bacillus Subtilis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Subtilis		NA	Mülner et al. 2020
Prokaryota	Bacillus Atrophaeus	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Amyloliquefaciens		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Velezensis		NA	Mülner et al. 2020
Prokaryota	Bacillus Licheniformis		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Licheniformis		NA	Mülner et al. 2020
Prokaryota	Pseudomonas Aeruginosa		National Collections of Industrial Food and Marine Bacteria, American Type Culture Collection	Slade et al. 2022
Prokaryota	Chromobacterium Vaccinii	antifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001	isolate from cultivated cranberry bog soils in Massachusetts (USA)	Ebadzadsahrai et al. 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Streptomyces Griseus		NA	Riu et al. 2022
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Prokaryota	Bacillus Cereus	promote fungal hypocrellin A production in Shiraia sp. S9	isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
Prokaryota	Burkholderia Pyrrocinia	promote aerial and root growth in Arabidopsis thaliana seedlings	Rhizosphere soil samples from roots of maize (Zea mays L.) grown in Gongju, South Korea	Luo et al. 2022
Prokaryota	Streptomyces Alboflavus	n/a	NA	Wang et al. 2013
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Rishiriensis	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Albus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Lactococcus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Oenococcus Oeni	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Brevis	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Hilgardii	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Plantarum	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Alcaligenes Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Bacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Citrobacter Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Oxytoca	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Serratia Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Aeromonas Veronii	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Stenotrophomonas Maltophilia	n/a	NA	Zou et al. 2007
Prokaryota	Alcaligenes Faecalis	n/a	NA	Zou et al. 2007
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	NA	Zou et al. 2007
Prokaryota	Lysobacter Gummosus	n/a	NA	Zou et al. 2007
Prokaryota	Sporosarcina Ginsengisoli	n/a	NA	Zou et al. 2007
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al. 2008
Eukaryota	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Eukaryota	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Cupriavidus Necator	n/a	NA	Blom et al. 2011
Prokaryota	Limnobacter Thiooxidans	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Tropica	n/a	NA	Tenorio-Salgado et al. 2013
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Elgaali et al. 2002
Prokaryota	Escherichia Coli	n/a	NA	Siripatrawan et al. 2008
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Bacillus Cereus		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Bacillus Polymyxa		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterococcus Durans		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterococcus Faecium		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Lactobacillus Lactis		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Leuconostoc Mesenteroides		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptococcus Agalactiae		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptococcus Thermophilus		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Eukaryota	Fusarium Sp.		NA	Brock et al. 2011
Eukaryota	Penicillium Sp.		NA	Larsen 1998
Prokaryota	Pseudomonas Perolens	na	sterile fish muscle (Sebastes melanops)	Miller et al. 1973
Prokaryota	Pseudomonas Tolaasii	na	na	Lo Cantore et al. 2015
Prokaryota	Pseudonocardia Thermophila	na	soil	Wilkins 1996
Prokaryota	Saccharomonospora Rectivirgula	na	soil	Wilkins 1996
Prokaryota	Saccharomonospora Viridis	na	soil	Wilkins 1996
Prokaryota	Thermoactinomyces Vulgaris	na	soil	Wilkins 1996
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Prokaryota	Streptomyces Sp.	na	breathing zone of a waste collection worker	Wilkins 1996
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Proteus Hauseri	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Arthrobacter Nicotianae	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Pseudomonas Putida	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Chlororaphis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Fluorescens	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Aeruginosa	na	na	Briard et al. 2016
Prokaryota	Pseudomonas Chlororaphis	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al. 2014
Prokaryota	Serratia Proteamaculans	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	spoiled meat	Popova et al. 2014
Prokaryota	Serratia Plymuthica	stimulates growth of Pseudomonas fluorescens Pf0-1	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Tsukamurella Sp.	na	na	Tyc et al. 2015
Prokaryota	Dyella Sp.	na	na	Tyc et al. 2015
Prokaryota	Janthinobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Ralstonia Solanacearum	na	na	Spraker et al. 2014
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Prokaryota	Leuconostoc Mesenteroides	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products	NA	Pogačić et al. 2016
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Prokaryota	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al. 2014
Prokaryota	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al. 2014
Prokaryota	Pseudomonas Putida	na	na	Schöller et al. 1997
Prokaryota	Pseudomonas Fluorescens	na	soil, water, plants	Schöller et al. 1997
Prokaryota	Pseudomonas Aeruginosa	na	soil, water, skin flora	Schöller et al. 1997
Prokaryota	Serratia Liquefaciens	na	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schöller et al. 1997
Prokaryota	Enterobacter Cloacae	na	ubiquitary,intestinal	Schöller et al. 1997
Prokaryota	Leuconostoc Mesenteroides	na	Cantal cheese	Pogačić et al. 2016
Prokaryota	Alcaligenes Faecalis	na	na	Su et al. 2016
Prokaryota	Bacillus Cereus	na	na	Su et al. 2016
Prokaryota	Brevibacterium Epidermidis	na	na	Su et al. 2016
Prokaryota	Proteus Penneri	na	na	Su et al. 2016
Prokaryota	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Providencia Rettgeri	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
Eukaryota	Tuber Magnatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Prokaryota	Pseudomonas Aeruginosa		clinic	Preti et al. 2009
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017
Prokaryota	Pseudomonas Putida	positive influence of the plant root growth and protection against soil-borne pathogens	NA	Sheoran et al. 2015
Prokaryota	Pseudomonas Putida	na	black pepper root	Sheoran et al. 2015
Eukaryota	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Microbacterium			Ballot et al. 2023
	Mycobacterium Ulcerans			Chudy et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	BHI	GC-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Enterococcus Faecalis	TYE	SIFT-MS	no
Prokaryota	Escherichia Coli	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	BacT/ALERT FA	SIFT-MS	no
Prokaryota	Escherichia Coli	TYE	SIFT-MS	no
Prokaryota	Neisseria Meningitidis	human blood	SIFT-MS	no
Prokaryota	Proteus Mirabilis	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	Pseudomonas selective	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	Blood agar	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	human blood	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	human blood	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Rhizophila	MHB	SIFT-MS	no
Prokaryota	Streptococcus Pneumoniae	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Burkholderia Cepacia	trypticase soy agar	TD/GC-MS	no
Eukaryota	Candida Krusei	SDA	TD/GC-MS	no
Eukaryota	Candida Albicans	SDA	TD/GC-MS	no
Eukaryota	Candida Glabrata	SDA	TD/GC-MS	no
Eukaryota	Candida Tropicalis	SDA	TD/GC-MS	no
Prokaryota	Escherichia Coli	ASM	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Haemophilus Influenzae	Tryptic soya supp. factors X&V	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Brain Heart Infusion	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	ASM	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Putida	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Prokaryota	Shewanella Putrefaciens	trypticase soy agar	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller–Hinton	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	ASM	TD/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	trypticase soy agar	TD/GC-MS	no
Prokaryota	Streptococcus Pneumoniae	Tryptic soya	TD/GC-MS	no
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Pseudomonas Aeruginosa	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Eukaryota	Eurotium Amstelodami	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Penicillium Brevicompactum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Prokaryota	Bacillus Acidiceler	LB agar	SPME / GS-MS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Eukaryota	Fusarium Oxysporum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Eukaryota	Fusarium Proliferatum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Ignatzschineria Indica	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Hyphomonas Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Rhizobium Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Pseudomonas Protegens	tryptic soy broth (TSB)	gastight syringe, GC-MS	no
Prokaryota	Serratia Marcescens	NA media	GC-MS/MS	no
Prokaryota	Bacillus Muralis	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Pumilus	NA media	SPME/GC-MS	yes
Prokaryota	Novosphingobium Lindaniclasticum	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Subtilis	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Megaterium	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Atrophaeus	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Velezensis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Licheniformis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TS agar/blood agar	HS-SPME/GC-MS	no
Prokaryota	Chromobacterium Vaccinii	King media B (KMB)	SBSE-TD-GC×GC-TOF-MS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Streptomyces Griseus	TSA media	SPME/GC-MS	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	yes
Prokaryota	Burkholderia Pyrrocinia	NA media	SPME/GC-MS	yes
Prokaryota	Streptomyces Alboflavus	Gause's synthetic medium	Headspace, solid-phase microextraction	no
Prokaryota	Streptomyces Albidoflavus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Sp.	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Rishiriensis	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Albus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Antibioticus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Coelicolor	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hirsutus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hygroscopicus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Thermoviolaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Lactococcus Sp.	n/a	n/a	no
Prokaryota	Lactobacillus Sp.	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Prokaryota	Lactobacillus Brevis	n/a	n/a	no
Prokaryota	Lactobacillus Hilgardii	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Alcaligenes Sp.	n/a	n/a	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Citrobacter Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Klebsiella Oxytoca	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Prokaryota	Aeromonas Veronii	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Alcaligenes Faecalis	n/a	n/a	no
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	n/a	no
Prokaryota	Lysobacter Gummosus	n/a	n/a	no
Prokaryota	Sporosarcina Ginsengisoli	n/a	n/a	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Burkholderia Glumae	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cupriavidus Necator	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Limnobacter Thiooxidans	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Tropica	Potato dextrose agar	Headspace trapping/ GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Staphylococcus Aureus	TS broth	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	Super broth made up of tryptone, yeast, NaCl	HS-SPME/GC-MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Prokaryota	Bacillus Cereus	TS broth	GC-MS SPME	yes
Prokaryota	Bacillus Polymyxa	TS broth	GC-MS SPME	yes
Prokaryota	Enterococcus Durans	TS broth	GC-MS SPME	yes
Prokaryota	Enterococcus Faecium	TS broth	GC-MS SPME	yes
Prokaryota	Lactobacillus Lactis	TS broth	GC-MS SPME	yes
Prokaryota	Leuconostoc Mesenteroides	TS broth	GC-MS SPME	yes
Prokaryota	Streptococcus Agalactiae	TS broth	GC-MS SPME	yes
Prokaryota	Streptococcus Thermophilus	TS broth	GC-MS SPME	yes
Eukaryota	Fusarium Sp.			no
Eukaryota	Penicillium Sp.			no
Prokaryota	Pseudomonas Perolens	Trypticase soil agar (BBL)	GC/MS	no
Prokaryota	Pseudomonas Tolaasii	KB	SPME-GC	no
Prokaryota	Pseudonocardia Thermophila	Nutrient agar CM3	GC/MS	no
Prokaryota	Saccharomonospora Rectivirgula	Nutrient agar CM3	GC/MS	no
Prokaryota	Saccharomonospora Viridis	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermoactinomyces Vulgaris	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Prokaryota	Streptomyces Sp.	Nutrient agar CM3 + 50mg/l actidione	GC/MS	no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Proteus Hauseri	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Prokaryota	Arthrobacter Nicotianae	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Aeruginosa	minimal medium/ Brian medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Chlororaphis	LB medium	SPME-GC/MS	no
Prokaryota	Serratia Proteamaculans	LB medium	SPME-GC/MS	no
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Dyella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Janthinobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Penicillium Commune	MEA	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Prokaryota	Leuconostoc Mesenteroides	Man Rogosa Sharpe broth (MRS)	Tenax-trap/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Prokaryota	Staphylococcus Aureus	TS broth	GC-FID	no
Prokaryota	Escherichia Coli	tryptone, yeast extract	GC-MS (SPB-5)	no
Prokaryota	Pseudomonas Putida	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Fluorescens	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Aeruginosa	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Serratia Liquefaciens	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Enterobacter Cloacae	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Leuconostoc Mesenteroides	curd-based broth medium	GC/MS	yes
Prokaryota	Alcaligenes Faecalis	LB medium	SPME-GC/MS	no
Prokaryota	Bacillus Cereus	LB medium	SPME-GC/MS	no
Prokaryota	Brevibacterium Epidermidis	LB medium	SPME-GC/MS	no
Prokaryota	Proteus Penneri	LB medium	SPME-GC/MS	no
Prokaryota	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Providencia Rettgeri	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no
Prokaryota	Pseudomonas Putida	TSB	Propak Q adsorbent trap/GC-MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Headspace GC/MS	no
Eukaryota	Tuber Borchii	None	None	yes
Eukaryota	Tuber Melanosporum	None	None	yes
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Mycobacterium Ulcerans	NA	GCMS–GP2010	no

Dodecan-2-one

Mass-Spectra

Compound Details

Synonymous names

2-Dodecanone

Dodecan-2-one

6175-49-1

Decyl methyl ketone

METHYL DECYL KETONE

Dodecanone-(2)

MFCD00015064

P5CN8YSV3P

CHEBI:89284

EINECS 228-222-5

UNII-P5CN8YSV3P

n-DECYL METHYL KETONE

AI3-28136

2-Dodecanone, 95%

SCHEMBL103221

CHEMBL2228472

DTXSID4022236

2-Dodecanone, >=97.0% (GC)

LMFA12000163

AKOS009158766

MCULE-3936750617

NCGC00166062-01

AS-14475

2-Dodecanone, analytical reference material

CS-0314654

D1862

NS00022516

D89937

A833406

Q27161470

Microorganism:

Yes

IUPAC name

dodecan-2-one

SMILES

CCCCCCCCCCC(=O)C

Inchi

InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3

Formula

C₁₂H₂₄O

PubChem ID

22556

Molweight

184.32

LogP

4.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aliphatic ketones ketones

CHEBI-ID

89284

Supernatural-ID

SN0214124

mVOC Specific Details

Boiling Point

Degree	Reference
245 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007052

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Bacillus Amyloliquefaciens	Inhibition of fusarium oxysporum f.sp. Niveum	rhizosphere soils of watermelon plants	Wu et al. 2019
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Burkholderia Ambifaria		NA	Groenhagen et al. 2013
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Prokaryota	Serratia Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides (CFB)	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Prokaryota	Achromobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	modified Murashige-Skoog (MS) culture medium	SPME-GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract		yes
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides (CFB)	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Prokaryota	Achromobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Enterobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no

3-hydroxybutan-2-one

Mass-Spectra

Compound Details

Synonymous names

acetoin

3-hydroxy-2-butanone

513-86-0

3-hydroxybutan-2-one

acetylmethylcarbinol

Dimethylketol

Acetyl methyl carbinol

2-Butanone, 3-hydroxy-

2,3-Butanolone

2-Hydroxy-3-butanone

1-Hydroxyethyl methyl ketone

Methanol, acetylmethyl-

Acetoin (natural)

gamma-Hydroxy-beta-oxobutane

3-hydroxyl-2-butanone

FEMA No. 2008

CCRIS 2918

HSDB 974

.gamma.-Hydroxy-.beta.-oxobutane

DL-Acetoin

NSC 7609

2-Acetoin

2-Butanol-3-one

AI3-03314

(+/-)-Acetoin

2-hydroxy-3-oxobutane

BG4D34CO2H

51555-24-9

DTXSID0024399

(+/-)-3-Hydroxybutan-2-one

NSC-7609

MFCD00004521

Acethoin

Butan-2-ol-3-one

EINECS 208-174-1

UN2621

UNII-BG4D34CO2H

1-Hydroxethyl methyl ketone

acetoine

BRN 0385636

acetylmethyl-

beta-oxobutane

2-Butanone, 3-hydroxy-, (R)-

b-oxobutane

Acetoin dimer

3-Oxo-2-butanol

ACETOIN MONOMER

DI-METHYLKETOL

Methanol, acetylmethyl

3-hydroxy-2-oxobutane

2-butanone, 3-hydroxy

3-hydroxy-butan-2-one

ACETOIN (DIMER)

Acetoin (~90%)

ACETOIN [FHFI]

ACETOIN [HSDB]

3-hydroxy-butane-2-one

ACETOIN [MI]

ACETOIN (MONOMER)

Acetoin, analytical standard

Butan-2-one, 3-hydroxy-

Acetoin, >=96%, natural

2-01-00-00870 (Beilstein Handbook Reference)

BUTAN-2-0L-3-ONE

DTXCID304399

ACETOIN (DIMER) [FCC]

CHEMBL3561873

CHEBI:15688

ACETOIN (MONOMER) [FCC]

NSC7609

Acetoin, natural, >=95%, FG

ACETOIN(MAY INCLUDE DIMER)

Acetoin, >=96%, FCC, FG

(S)-3-HYDROXY-2-BUTANONE

NSC89727

Tox21_302518

LMFA12000020

NSC-89727

AKOS000121293

AKOS017278202

MCULE-5374414264

UN 2621

2-Butanone, 3-hydroxy- (8CI,9CI)

Acetoin, May exist as crystalline dimer

Acetoin (may exist as crystalline dimer)

NCGC00256914-01

2-Butanone, 3-hydroxy-, (.+/-.)-

CAS-513-86-0

PD124062

3-Hydroxybutan-2-one (may include dimer)

DB-003392

H0225

NS00011932

EN300-21639

C00466

D93492

Q223083

Q-200581

Acetyl methyl carbinol [UN2621] [Flammable liquid]

2,3,5,6- TETRAMETHYL-1,4-DIOXANE-2,5-DIOL

F0001-1338

Microorganism:

Yes

IUPAC name

3-hydroxybutan-2-one

SMILES

CC(C(=O)C)O

Inchi

InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3

Formula

C₄H₈O₂

PubChem ID

179

Molweight

88.11

LogP

-0.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols ketones

CHEBI-ID

15688

Supernatural-ID

SN0331260

mVOC Specific Details

Boiling Point

Degree	Reference
148 °C peer reviewed

Volatilization

The Henry's Law constant for acetoin is estimated as 1.0X0-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoin is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 28 days(SRC). Acetoin's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetoin is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of acetoin is estimated as 2(SRC), using a water solubility of 1.0X10+6 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that aetoin is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL DATABASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.7X10+0 at 25 deg C /Estimated/	US EPA; Estimation Program Interface (EPI) Suite. Ver.3.11. June 10, 2003. Available from, as of Mar 15, 2005: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

MS-Links

MS-MS Spectrum 13740

MS-MS Spectrum 2219 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5865 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 7069

MS-MS Spectrum 2218 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2220 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 4163

1D NMR Spectrum 3890

1D NMR Spectrum 1939 - Bruker 600 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009143

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Burkholderia Cepacia	NA	NA	Thorn et al. 2011
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Thorn et al. 2011
Prokaryota	Proteus Mirabilis	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Streptococcus Pyogenes	NA	NA	Thorn et al. 2011
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Fitzgerald et al. 2021
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Prokaryota	Klebsiella Pneumoniae	NA	NA	Rees et al. 2016a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Streptococcus Pneumoniae	NA	NA	Mellors et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Staphylococcus Aureus	NA	NA	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Staphylococcus Epidermidis		clinical isolate,catheter	Lemfack et al. 2016
Prokaryota	Staphylococcus Haemolyticus		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Staphylococcus Saccharolyticus		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Schleiferi		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Warneri		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Erwinia Amylovora		NA	Cellini et al. 2018
Prokaryota	Escherichia Coli		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Listeria Monocytogenes		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Shigella Flexneri		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Staphylococcus Aureus		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Bacillus Sp.		KX395632.1	Fincheira et al. 2017
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Prokaryota	Bacillus Amyloliquefaciens	Inhibition of fusarium oxysporum f.sp. Niveum; fresh weight of Arabidopsis seedlings increased	rhizosphere soils of watermelon plants	Wu et al. 2019
Prokaryota	Bacillus Amyloliquefaciens	0	rhizosphere soils of watermelon plants	Wu et al. 2019
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Bacillus Tequilensis	antifungal activity against the hyphae growth of Ceratocystis fimbriata	rhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016	Xu et al. 2021
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Bacillus Amyloliquefaciens	stimulate growth of Solanum tuberosum	commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Bacillus Sp.	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	NA	López et al. 2021
Prokaryota	Bacillus Amyloliquefaciens		NA	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Velezensis		NA	Mülner et al. 2020
Prokaryota	Bacillus Pumilus		NA	Mülner et al. 2020
Eukaryota	Fusarium Oxysporum		NA	Moisan et al. 2021
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 103	NA	Calvo et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 112	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Aureus		National Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead Hospital	Slade et al. 2022
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Prokaryota	Bacillus Subtilis	promote biomass production of Arabidopsis thaliana	rhizosphere of Haloxylon ammodendron	He et al. 2023
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Prokaryota	Staphylococcus Aureus	n/a	NA	Preti et al. 2009
Prokaryota	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Prokaryota	Bacillus Subtilis	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Bacillus Amyloliquefaciens	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Lactobacillus Rhamnosus	na	na	Pogačić et al. 2016
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Tuber Borchii	na	na	Splivallo and Ebeler 2015
Eukaryota	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Tropica	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Limnobacter Thiooxidans	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Eukaryota	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Prokaryota	Enterobacter Agglomerans		NA	Robacker and Lauzon 2002
Prokaryota	Bacillus Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Serratia Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Staphylococcus Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Eukaryota	Boletus Variegatus	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Bacillus Subtilis	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.	NA	Ryu et al. 2003
Prokaryota	Bacillus Amyloliquefaciens	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.	NA	Ryu et al. 2003
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Eukaryota	Trichoderma Viride	n/a	NA	Hung et al. 2013
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Prokaryota	Staphylococcus Aureus	n/a	NA	Hettinga et al. 2008
Prokaryota	Streptococcus Uberis	n/a	NA	Hettinga et al. 2008
Prokaryota	Coagulase-negative Staphylococci	n/a	NA	Hettinga et al. 2008
Prokaryota	Azospirillum Brasilense	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Escherichia Coli	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Streptococcus Dysgalactiae		milk of cows	Hettinga et al. 2008
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Eukaryota	Fusarium Verticillioides		NA	Dickschat et al. 2011
Prokaryota	Bacillus Amyloliquefaciens	na	na	Asari et al. 2016
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Fructicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Plurivora	N/A	Phytophthora plurivora	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Lactobacillus Plantarum			Zhang et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Toyonensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023
	Staphylococcus Aureus			Wang et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Burkholderia Cepacia	TYE	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Escherichia Coli	TYE	SIFT-MS	no
Prokaryota	Proteus Mirabilis	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Streptococcus Pyogenes	TYE	SIFT-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	human blood	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Streptococcus Pneumoniae	Modified Lacks Media	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Haemolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Saccharolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Schleiferi	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Warneri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Prokaryota	Escherichia Coli	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Listeria Monocytogenes	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Shigella Flexneri	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Bacillus Sp.	Plate Count agar (PCA)	GC–MS	yes
Prokaryota	Bacillus Sp.	Methyl Red & Voges Proskauer broth (MRVP-B)	SPME, GC-MS	yes
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	modified Murashige-Skoog (MS) culture medium	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Bacillus Tequilensis	LB media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media, Landy media	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media, M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Sp.	TYB media	GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Velezensis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Pumilus	nutrient agar	HS-SPME/GC-MS	no
Eukaryota	Fusarium Oxysporum	1/5th PDA medium	GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Aureus	TS agar/blood agar	HS-SPME/GC-MS	no
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Prokaryota	Bacillus Subtilis	1/2 MS media	SPME/GC-MS	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Prokaryota	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Prokaryota	Staphylococcus Sciuri	867 liquid medium	SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Tuber Borchii	na	SPME-GC/MS/O); GC-R	yes
Eukaryota	Tuber Indicum			yes
Prokaryota	Bacillus Cereus	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Tropica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Limnobacter Thiooxidans	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	MR-VP and LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Prokaryota	Enterobacter Agglomerans			no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Staphylococcus Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Boletus Variegatus	n/a	n/a	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Amyloliquefaciens	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Staphylococcus Aureus	Milk	HS-SPME/GC-MS	no
Prokaryota	Streptococcus Uberis	Milk	HS-SPME/GC-MS	no
Prokaryota	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Prokaryota	Streptococcus Dysgalactiae		GCMS DSQ	no
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Eukaryota	Fusarium Verticillioides			no
Prokaryota	Bacillus Amyloliquefaciens	M9A	GC/MS	no
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	no
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Fructicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Plurivora	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no

2-amino-1-phenylethanone

Compound Details

Synonymous names

2-Aminoacetophenone

Phenacylamine

613-89-8

2-Amino-1-phenylethanone

2-Amino-1-phenylethan-1-one

2-Aminoecetophenone

Ethanone, 2-amino-1-phenyl-

2-amino-1-phenyl-ethanone

alpha-Aminoactophenone

alpha-Aminoacetophenone

alpha-Demethylcathinone

omega-Aminoacetophenone

ACETOPHENONE, 2-AMINO-

.omega.-Aminoacetophenone

1-Phenyl-2-aminoethanone

4M571C83H7

MLS002207080

|A-Aminoacetophenone

2-amino acetophenone

2-amino-1-phenylethanone;hydrochloride

SMR001306710

EINECS 210-358-1

BRN 0507952

Phenomydrol

aminoacetophenone

Benzoylmethylamine

UNII-4M571C83H7

amino acetophenone

2-oxophenethylamine

2amino-acetophenone

2-Amino-acetophenone

Spectrum_001806

Spectrum2_001993

Spectrum3_001033

Spectrum4_001167

Spectrum5_001836

2-amino-1phenyl-ethanone

2-oxo-2-phenylethanamine

2-oxo-2-phenylethylamine

PHENACYLAMINE [MI]

2-amino-1 phenyl-ethanone

2-AAP

2-oxo-2-phenyl-ethyl-amine

SCHEMBL45515

2-Amino-1-phenylethanone #

BSPBio_002845

KBioGR_001773

KBioSS_002299

4-14-00-00114 (Beilstein Handbook Reference)

SPBio_002205

CHEMBL128079

SCHEMBL9855165

.ALPHA.-AMINOACETOPHENONE

.ALPHA.-DEMETHYLCATHINONE

2-Amino-1-phenylethanone, 9CI

BDBM96824

cid_2723597

KBio2_002297

KBio2_004865

KBio2_007433

KBio3_002065

DTXSID80210206

CHEBI:104022

(2-OXO-2-PHENYLETHYL)AMINE

BBL028098

STK684967

ACETOPHENONE, .ALPHA.-AMINO-

AKOS004114654

MCULE-3575154157

SDCCGMLS-0066907.P001

2-amino-1-phenyl-ethanone;hydrochloride

2-azanyl-1-phenyl-ethanone;hydrochloride

NCGC00178437-01

NCGC00178437-02

AC-22359

BP-21393

A8514

NS00034671

2-amino-1-phenylethanone;Phe-Met-OMehydrochloride

BRD-K61831307-003-02-1

Q27181279

Microorganism:

Yes

IUPAC name

2-amino-1-phenylethanone

SMILES

C1=CC=C(C=C1)C(=O)CN

Inchi

InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2

Formula

C₈H₉NO

PubChem ID

11952

Molweight

135.16

LogP

0.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds amines nitrogen compounds benzenoids ketones

CHEBI-ID

91110

Supernatural-ID

SN0123503

mVOC Specific Details

MS-Links

MS-MS Spectrum 94141

MS-MS Spectrum 94142

MS-MS Spectrum 158112

MS-MS Spectrum 94140

MS-MS Spectrum 158113

MS-MS Spectrum 158114

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zhu et al. 2010
Prokaryota	Burkholderia Cepacia	NA	NA	Thorn et al. 2011
Prokaryota	Enterococcus Faecalis	NA	NA	Thorn et al. 2011
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Scotter et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Thorn et al. 2011
Prokaryota	Proteus Mirabilis	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Thorn et al. 2011
Prokaryota	Staphylococcus Aureus	NA	NA	Allardyce et al. 2006
Prokaryota	Staphylococcus Aureus	NA	NA	Thorn et al. 2011
Prokaryota	Streptococcus Pneumoniae	NA	NA	Allardyce et al. 2006
Prokaryota	Streptococcus Pneumoniae	NA	NA	Scotter et al. 2006
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Ahmed et al. 2023
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Fitzgerald et al. 2021
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	NA
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Pseudomonas Aeruginosa		clinic	Preti et al. 2009
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Caviscabies	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glathei	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	intermediate product in the biosynthesis of quinalozines	from respiratory specimens	Scott-Thomas et al. 2010
Prokaryota	Pseudomonas Aeruginosa	breath biomarker for the detection of Ps.aeruginosa infections in the cystic fibrosis lung	NA	Scott-Thomas et al. 2010

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	TSB	SESI-MS	no
Prokaryota	Burkholderia Cepacia	TYE	SIFT-MS	no
Prokaryota	Enterococcus Faecalis	TYE	SIFT-MS	no
Prokaryota	Escherichia Coli	BacT/ALERT FA	SIFT-MS	no
Prokaryota	Escherichia Coli	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	TYE	SIFT-MS	no
Prokaryota	Proteus Mirabilis	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	TYE	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BacT/ALERT FA	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	TYE	SIFT-MS	no
Prokaryota	Streptococcus Pneumoniae	BacT/ALERT FA	SIFT-MS	no
Prokaryota	Streptococcus Pneumoniae	human blood	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	trypticase soy agar	TD/GC-MS	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Streptomyces Caviscabies	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Bacillus Cereus	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Anthina	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	LB, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glathei	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phytofirmans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	Sheep Blood agar; Columbia Sheep Blood agar; Mueller-Hinton agar; Luria Bertani agar; M9 Minimal Media broth; laboratory tap water	SPME-GC/MS	yes
Prokaryota	Pseudomonas Aeruginosa	Columbia sheep blood agar	SPME/GC-MS	no

Results for: Species: Serratia marcescens Signature

Benzaldehyde

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2-phenylacetaldehyde

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2,3,5-trimethylpyrazine

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2-methylquinoxaline

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Furan-2-carbaldehyde

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Phenol

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2-phenylethyl Butanoate

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1-phenylpropan-2-one

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1-phenylethanone

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Phenylmethanol

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2-phenylethanol

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Benzene;ethanol

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2H-benzotriazole

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2-methylsulfanylethanol

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2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

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(methyltrisulfanyl)methane

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(methyldisulfanyl)methane

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Dodecan-2-one

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3-hydroxybutan-2-one

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2-amino-1-phenylethanone

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Results for:
Species: Serratia marcescens

Signature