Results for:
Species: Pseudomonas aurantiaca

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

1H-indole

Mass-Spectra

Compound Details

Synonymous names

indole

1H-Indole

120-72-9

2,3-Benzopyrrole

Indol

1-Benzazole

Ketole

1-Azaindene

Benzopyrrole

2,3-Benzopyrole

Indole (natural)

Caswell No. 498B

1-Benzo(b)pyrrole

Indol [German]

FEMA No. 2593

CCRIS 4421

HSDB 599

EPA Pesticide Chemical Code 025000

1H-Benzo[b]pyrrole

Benzo[b]pyrrole

AI3-01540

NSC 1964

EINECS 204-420-7

MFCD00005607

UNII-8724FJW4M5

INDOLUM

DTXSID0020737

CHEBI:16881

8724FJW4M5

NSC-1964

CHEMBL15844

DTXCID40737

Indole 100 microg/mL in Acetonitrile

NCGC00167539-01

INDOLE (USP-RS)

INDOLE [USP-RS]

IND

CAS-120-72-9

benzazole

mono-indole

1-H-indole

Indole, 7

Indole (8CI)

Indole (white flake)

Indole, 98%

1H-Indole (9CI)

INDOLUM [HPUS]

INDOLE [FHFI]

INDOLE [HSDB]

INDOLE [FCC]

INDOLE [MI]

Indole, >=99%

SCHEMBL698

bmse000097

Indole, analytical standard

Indole, >=99%, FG

WLN: T56 BMJ

BIDD:GT0304

SCHEMBL940818

INDOLE BENZO-PYRROLE

SCHEMBL1921769

SCHEMBL9559244

AMY3411

NSC1964

185l

BCP27232

STR01201

Tox21_112536

Tox21_201677

Tox21_302937

BBL011739

BDBM50094702

s6358

STL163380

Indole, 3-Benzopyrrole, 1-benzazole

AKOS000119629

Tox21_112536_1

AT36838

CG-0501

CS-W001132

DB04532

HY-W001132

Indole, puriss., >=98.5% (GC)

MCULE-9442796928

NCGC00167539-02

NCGC00167539-03

NCGC00256348-01

NCGC00259226-01

BP-10563

DS-011308

I0021

NS00010849

EN300-18285

C00463

I-0800

I-0810

Q319541

SR-01000944736

SR-01000944736-1

Z57833933

F2190-0647

InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9

82451-55-6

Microorganism:

Yes

IUPAC name

1H-indole

SMILES

C1=CC=C2C(=C1)C=CN2

Inchi

InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

Formula

C₈H₇N

PubChem ID

798

Molweight

117.15

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds heterocyclic compounds nitrogen compounds

CHEBI-ID

16881

Supernatural-ID

SN0346338

mVOC Specific Details

Boiling Point

Degree	Reference
254 °C	PhysProp
253 deg C @ 762 mm Hg; 128-133 deg C @ 28 mm Hg	Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 851

Volatilization

The Henry's Law constant for indole is estimated as 5.3X10-7 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.0122 mm Hg(1), and water solubility, 3560 mg/l(2). This value indicates that indole will be essentially nonvolatile from water surfaces(3,SRC). Indole's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces should not occur(SRC).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. HOuston,TX: Gulf Publ Co (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Ver 5. College of Pharmacy, University of Arizona - Tucson, AZ. PC Ver (1992) (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

A Koc of 187 was measured for indole on a synthetic soil consisting of 88-90% sand, 10% clay and 0-2% humic acid(1). The Koc of indole is estimated as approximately 350(SRC), using a measured log Kow of 2.14(2) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these Koc values suggest that indole has moderate mobility in soil(SRC).
Literature: (1) Rebhun M et al; Water Res 26: 79-84 (1992) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC. p. 6 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
0.0122 mm Hg at 25 deg C	Yaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. Gulf Publishing Co.: Houston, TX (1994)

MS-Links

MS-MS Spectrum 225355

MS-MS Spectrum 225356

MS-MS Spectrum 183055

MS-MS Spectrum 225360

MS-MS Spectrum 182706

MS-MS Spectrum 225361

MS-MS Spectrum 225351

MS-MS Spectrum 183056

MS-MS Spectrum 225354

MS-MS Spectrum 182708

MS-MS Spectrum 225353

MS-MS Spectrum 182707

MS-MS Spectrum 1047 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4590 - EI-B (MX-1303) Positive

MS-MS Spectrum 1049 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 225352

MS-MS Spectrum 225359

MS-MS Spectrum 225358

MS-MS Spectrum 225362

MS-MS Spectrum 1048 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4592 - EI-B (HITACHI M-68) Positive

MS-MS Spectrum 225357

MS-MS Spectrum 4593 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

MS-MS Spectrum 4591 - EI-B (Unknown) Positive

MS-MS Spectrum 183054

1D-NMR-Links

1D NMR Spectrum 1511 - Varian 500 MHz 1H NMR

1D NMR Spectrum 5139

1D NMR Spectrum 5138

1D NMR Spectrum 2184 - JEOL 400 MHz 1H NMR

1D NMR Spectrum 2875 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002009

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002807

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003524

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT100900

Massbank Spectrum MSBNK-RIKEN-PR100053

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Dolch et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dolch et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Kunze et al. 2013
Prokaryota	Escherichia Coli	NA	NA	Zhu et al. 2010
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zhu et al. 2010
Prokaryota	Burkholderia Cepacia	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	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	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Boots et al. 2014
Prokaryota	Escherichia Coli	NA	NA	Lawal et al. 2018a
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli		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
Eukaryota	Candida Albicans		NA	Karami et al. 2017
Prokaryota	Escherichia Coli		NA	Karami et al. 2017
Eukaryota	Hypoxylon Invadens		NA	Dickschat 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
Prokaryota	Hyphomonas Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Sphingomonas Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Proteus Vulgaris		rhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)	Yu et al. 2013
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Prokaryota	Loktanella Sp.	It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.	NA	Schulz and Dickschat 2007
Prokaryota	Escherichia Coli	It is able to regulate biofilm formation. It also induces the formation of myxospores in Stigmatella aurantiaca.	NA	Schulz and Dickschat 2007
Prokaryota	Escherichia Coli	Regulation of expression of multi-drug exporter genes and inhibition of biofilm formation of Escherichia coli, Pseudomonas fluorescens and Pseudomonas aeruginosa.	NA	Ryan and Dow 2008
Prokaryota	Shigella Flexneri	n/a	NA	Bunge et al. 2008
Prokaryota	Serratia Odorifera	n/a	NA	Weise et al. 2014
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 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 Pyrrocinia	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 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
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Tait et al. 2014
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	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	Haemophilus Influenzae		clinic	Preti et al. 2009
Eukaryota	Puccinia Punctiformis		NA	Connick and French 1991
Eukaryota	Aspergillus Clavatus		NA	Seifert and King 1982
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Staphylococcus Aureus			Wang et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	IMR-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB	IMR-MS	no
Prokaryota	Escherichia Coli	LB	MCC-IMS	no
Prokaryota	Escherichia Coli	TSB	SESI-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	SESI-MS	no
Prokaryota	Burkholderia Cepacia	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	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	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Prokaryota	Escherichia Coli	Mueller–Hinton	TD/GC-MS	no
Prokaryota	Escherichia Coli	ASM	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Shigella Flexneri	Trypticase Soy Broth (TSB)	HS-SPME/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
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Vibrio Parahaemolyticus	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Hyphomonas Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Sphingomonas Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Proteus Vulgaris	LB agar	SPME, GC-MS	yes
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB media, rocket lysate, spinach lysate	HS-SPME/GC-MS	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Escherichia Coli	n/a	n/a	no
Prokaryota	Shigella Flexneri	n/a	n/a	no
Prokaryota	Serratia Odorifera	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Burkholderia Andropogonis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Anthina	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	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	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	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	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	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	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 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 Pyrrocinia	MS	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	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	Escherichia Coli	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	Pseudomonas Aeruginosa	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 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 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 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
Prokaryota	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Prokaryota	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Puccinia Punctiformis			no
Eukaryota	Aspergillus Clavatus			no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no

2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names

2,5-DIMETHYLPYRAZINE

123-32-0

2,5-Dimethyl pyrazine

Pyrazine, 2,5-dimethyl-

2,5-Dimethyl-1,4-diazine

2,5-Dimethylpiazine

2,5-Dimethylparadiazine

NSC 49139

FEMA No. 3272

2,5-Dimethyl-pyrazine

V99Y0MUY1Q

PYRAZINE,2,5-DIMETHYL

CHEBI:89762

MFCD00006147

NSC-49139

CCRIS 2929

2,5-Dimethylpyrazine (natural)

EINECS 204-618-3

UNII-V99Y0MUY1Q

Ketine

AI3-60303

2.5-dimethylpyrazine

2, 5-Dimethylpyrazine

pyrazine, 2,5-dimethyl

SCHEMBL82304

2,5-Dimethylpyrazine, 98%

CHEMBL94709

DTXSID6047652

FEMA 3272

WLN: T6N DNJ B1 E1

2,5 and 2,6-dimethyl pyrazine

AMY23196

BCP08618

NSC49139

2,5-DIMETHYLPYRAZINE [FCC]

2,5-DIMETHYLPYRAZINE [FHFI]

2,5-Dimethylpyrazine, >=98%, FG

AKOS003368403

CS-W019957

MCULE-2763393473

NCGC00184236-01

NCGC00184236-02

2,5-Dimethylpyrazine, analytical standard

AC-10703

AS-17251

HY-34439

DB-003236

2,5-Dimethylpyrazine (contains 2,6-isomer)

D1526

D2171

NS00012335

S3108

EN300-20206

2,5-dimethylpyrazine and 2,6-dimethylpyrazine

P19770

A805045

Q-100107

Q27161950

F0001-0364

Z104477264

InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H

25R

Microorganism:

Yes

IUPAC name

2,5-dimethylpyrazine

SMILES

CC1=CN=C(C=N1)C

Inchi

InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3

Formula

C₆H₈N₂

PubChem ID

31252

Molweight

108.14

LogP

0.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

CHEBI-ID

89762

Supernatural-ID

SN0202167

mVOC Specific Details

Boiling Point

Degree	Reference
154 median

MS-Links

MS-MS Spectrum 9573

MS-MS Spectrum 9572

MS-MS Spectrum 226866

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007768

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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	Acinetobacter Baumannii	NA	NA	Gao et al. 2016
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	Escherichia Coli	NA	NA	Dixon et al. 2022
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	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			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	Bacillus Amyloliquefaciens		commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Bacillus Mycoides		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Fonticola		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Pseudomonas Azotoformans		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	Lysobacter Capsici	antifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minor	NA	Vlassi 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	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
Prokaryota	Bacillus Sp.	n/a	NA	Zou et al. 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	Cytophaga-Flavobacteria-Bacteroides Group	It is involved in fruit fly attraction to bacteria.	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Octadecabacter Sp.	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
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
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
Prokaryota	Staphylococcus Aureus		NA	Robacker and Flath 1995
Eukaryota	Fusarium Sp.		NA	Dickschat 2017
Eukaryota	Aspergillus Sp.		NA	Dickschat 2017
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Prokaryota	Arthrobacter Agilis	na	rhizosphere of maize plants	Velázquez-Becerra et al. 2011
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
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Pseudomonas Putida	na	black pepper root	Sheoran et al. 2015
Prokaryota	Pseudomonas Putida	positive influence of the plant root growth and protection against soil-borne pathogens	NA	Sheoran et al. 2015
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
	Citrobacter Freundii			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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	Acinetobacter Baumannii	BacT/ALERT SA	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	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	head space GC/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 media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	TSB media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media	SPME/GC-MS	no
Prokaryota	Serratia Fonticola	TSB media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Azotoformans	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	Lysobacter Capsici	NA-media	GC-MS	yes
Prokaryota	Staphylococcus Aureus	BHI media, LB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, MHB media, TSB media	HS-SPME/GC×GC-TOFMS	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	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	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Octadecabacter Sp.	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	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
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Enterobacter Agglomerans			no
Prokaryota	Staphylococcus Aureus			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Aspergillus Sp.			no
Prokaryota	Staphylococcus Sciuri	875 liquid medium	SPME-GC/MS	no
Prokaryota	Arthrobacter Agilis	NA medium	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
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Headspace GC/MS	no
Prokaryota	Pseudomonas Putida	TSB	Propak Q adsorbent trap/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	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	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
	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
	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

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

2,3,5,6-tetramethylpyrazine

Mass-Spectra

Compound Details

Synonymous names

2,3,5,6-Tetramethylpyrazine

TETRAMETHYLPYRAZINE

1124-11-4

Ligustrazine

Pyrazine, tetramethyl-

Bs factor

Tetrapyrazine

Tetramethylpyrazin

Chuanxiongzine

Liqustrazine

Ligustizine

2,3,5,6-Tetramethyl pyrazine

chuanxingzine

FEMA No. 3237

2,3,5,6,-Tetramethyl-1,4-pyrazine

MFCD00006146

V80F4IA5XG

MLS000069594

DTXSID6047070

FEMA 3237

Pyrazine, 2,3,5,6-tetramethyl-

NSC-36080

NSC-46451

SMR000059042

2,5,6-Tetramethylpyrazine

TMPZ

EINECS 214-391-2

NSC 36080

NSC 46451

UNII-V80F4IA5XG

2,3,5,6-Tetramethylpyrazine (natural)

Ligustrazin

CHUANXIONGQIN

Opera_ID_849

TMP?

SCHEMBL77624

LIGUSTRAZINE [WHO-DD]

CHEMBL303697

2,3,5,6-Tetramethyl-pyrazine

DTXCID4027070

FINHMKGKINIASC-UHFFFAOYSA-

CHEBI:133246

Pyrazine, 2,3,5,6-tetramethyl

HMS2235K03

HMS3371J08

HY-N0264

NSC36080

NSC46451

Tox21_302313

BBL012277

s3956

STL163591

2,3,5,6-Tetramethylpyrazine, 98%

AKOS003398567

CCG-207974

CS-W023183

MCULE-2834033564

NCGC00247063-01

NCGC00256097-01

AC-10515

AC-34076

AS-13206

SY011353

CAS-1124-11-4

DB-003786

2,3,5,6-TETRAMETHYLPYRAZINE [FCC]

AM20070299

NS00013238

T0972

2,3,5,6-TETRAMETHYLPYRAZINE [FHFI]

2,3,5,6-Tetramethylpyrazine, >=98%, FG

EN300-113945

F11202

2,3,5,6-Tetramethylpyrazine, analytical standard

A802574

AC-907/25014219

Q-100069

2,3,5,6-Tetramethylpyrazine, natural, >=98%, FG

Q11319317

Z1741976694

2,3,5,6-Tetramethylpyrazine, Vetec(TM) reagent grade, 98%

InChI=1/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3

Microorganism:

Yes

IUPAC name

2,3,5,6-tetramethylpyrazine

SMILES

CC1=C(N=C(C(=N1)C)C)C

Inchi

InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3

Formula

C₈H₁₂N₂

PubChem ID

14296

Molweight

136.19

LogP

1.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

CHEBI-ID

133246

Supernatural-ID

SN0086678

mVOC Specific Details

Boiling Point

Degree	Reference
190 median

MS-Links

MS-MS Spectrum 89679

MS-MS Spectrum 152659

MS-MS Spectrum 152658

MS-MS Spectrum 152660

MS-MS Spectrum 89680

MS-MS Spectrum 89681

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007771

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Bacillus Subtilis		soil	Chen et al. 2008
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Bacillus Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
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	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	Sulfitobacter Pontiacus	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Loktanella Hongkongensis	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Sulfitobacter Dubius	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Stappia Marina	n/a	NA	Dickschat et al. 2005_6
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	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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB)	activated charcoral trap	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	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	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	Sulfitobacter Pontiacus	n/a	n/a	no
Prokaryota	Loktanella Hongkongensis	n/a	n/a	no
Prokaryota	Sulfitobacter Dubius	n/a	n/a	no
Prokaryota	Stappia Marina	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
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

Pyrazine

Mass-Spectra

Compound Details

Synonymous names

PYRAZINE

290-37-9

1,4-Diazine

p-Diazine

Paradiazine

Piazine

1,4-Diazabenzene

pyrazin

1,4-Diazin

NSC-400221

DTXSID8049410

FEMA NO. 4015

CHEBI:30953

pyrazine phase IV

pyrazine phase III

MFCD00006122

2JKE371789

Pyrazines

CCRIS 1331

EINECS 206-027-6

NSC 400221

UNII-2JKE371789

Piazine (obsol.)

1, 4-Diazabenzene

Pyrazine, >=99%

PYRAZINE [FHFI]

PYRAZINE [MI]

Pyrazine, >=99%, FG

Pyrazine, analytical standard

CHEMBL15797

DTXCID7029370

AMY2647

STR04325

Tox21_202911

BBL027560

NSC400221

STL373491

AKOS006223200

Pyrazine, purum, >=98.0% (GC)

CS-W013756

MCULE-7343822850

NCGC00260457-01

BP-10420

CAS-290-37-9

DB-003769

NS00010841

P0544

EN300-72616

A819731

A935224

Q424284

Q-100368

InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4

F0001-0907

Microorganism:

Yes

IUPAC name

pyrazine

SMILES

C1=CN=CC=N1

Inchi

InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H

Formula

C₄H₄N₂

PubChem ID

9261

Molweight

80.09

LogP

-0.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

CHEBI-ID

30953

Supernatural-ID

SN0198952

mVOC Specific Details

Boiling Point

Degree	Reference
115 median

MS-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001627

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009039

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Ahmed et al. 2018
Eukaryota	Aspergillus Versicolor		wild strains	Schleibinger et al. 2005
Eukaryota	Chaetomium Globosum		wild strains	Schleibinger et al. 2005
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
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	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 110	NA	Calvo et al. 2020
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
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	AMM	TD/GC-MS	no
Eukaryota	Aspergillus Versicolor	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Chaetomium Globosum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Eurotium Amstelodami	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Penicillium Brevicompactum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	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
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
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

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

Benzyl Acetate

Mass-Spectra

Compound Details

Synonymous names

BENZYL ACETATE

140-11-4

Benzyl ethanoate

Phenylmethyl acetate

Acetic acid benzyl ester

Acetic acid, phenylmethyl ester

Acetic acid, benzyl ester

Phenylmethyl ethanoate

alpha-Acetoxytoluene

(Acetoxymethyl)benzene

NCI-C06508

Benzylester kyseliny octove

Caswell No. 081EA

FEMA No. 2135

Benzyl acetate (natural)

NSC 4550

Acetic acid phenylmethyl ester

CCRIS 1423

HSDB 2851

Plastolin I

UNII-0ECG3V79ZJ

EINECS 205-399-7

0ECG3V79ZJ

DTXSID0020151

CHEBI:52051

.alpha.-Acetoxytoluene

AI3-01996

NSC-4550

Benzyl ester of acetic acid

Benzyl-23456-d5 Acetate

DTXCID40151

EC 205-399-7

Benzyl acetate + glycine combination

MFCD00008712

BENZYL ACETATE (IARC)

BENZYL ACETATE [IARC]

CAS-140-11-4

Acetic acid-benzyl ester

Benzylester kyseliny octove [Czech]

ACETATO DE BENCILO

Benzyl acetate, primary pharmaceutical reference standard

?Benzyl acetate

FEMA 2135

J0Z

nchem.167-comp5

Benzyl acetate, >=99%

BENZYL ACETATE [MI]

WLN: 1VO1R

SCHEMBL43745

BENZYL ACETATE [FCC]

BENZYL ACETATE [FHFI]

BENZYL ACETATE [HSDB]

BENZYL ACETATE [INCI]

BENZYL ACETATE [VANDF]

CHEMBL1233714

AMY3828

NSC4550

Benzyl acetate, analytical standard

HY-N7124

Tox21_201826

Tox21_302841

s5576

STL283809

Benzyl acetate, >=99%, FCC, FG

AKOS015841099

CCG-266204

CS-W018145

MCULE-7952998506

NCGC00090779-01

NCGC00090779-02

NCGC00090779-03

NCGC00256379-01

NCGC00259375-01

LS-13613

A0022

Benzyl acetate, natural, >=99%, FCC, FG

E1501

NS00002107

Benzyl acetate, Selectophore(TM), >=99.5%

G75933

EN300-1267317

Q424223

J-007357

W-200649

Z19628364

InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H

Microorganism:

Yes

IUPAC name

benzyl acetate

SMILES

CC(=O)OCC1=CC=CC=C1

Inchi

InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

Formula

C₉H₁₀O₂

PubChem ID

8785

Molweight

150.17

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids esters

CHEBI-ID

52051

Supernatural-ID

SN0315467

mVOC Specific Details

Boiling Point

Degree	Reference
213 °C peer reviewed

Volatilization

The Henry's Law constant for benzyl acetate is estimated as 1.1X10-5 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.18 mm Hg(1), and water solubility, 3.1X10+3 mg/l(2). This value indicates that benzyl acetate is expected to volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 4.1 days(3,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 34 days(3,SRC). Benzyl acetate's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces may be important(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., NY, NY: Hemisphere Pub Corp (1989) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology-Toxicology and Information Center. ISBN #4-89074-101-1 p. 3-84 (1992) (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 benzyl acetate is estimated as approximately 180(SRC), using a log Kow of 1.96(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that benzyl acetate is expected to have moderate mobility in soil(SRC).
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. 57 (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: 23 (1983)

Vapor Pressure

Pressure	Reference
0.177 mm Hg at 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

1D NMR Spectrum 2239 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2934 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT002241

Massbank Spectrum MSBNK-EPA-ENTACT_AGILENT002242

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001315

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004946

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006899

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP011500

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
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 Gladioli	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 Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sordidicola	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 Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Sp.	n/a	n/a	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 Caledonica	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 Gladioli	LB	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 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 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 Sacchari	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	LB	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	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	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	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	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

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

Benzene-1,4-diamine

Mass-Spectra

Compound Details

Synonymous names

p-Phenylenediamine

106-50-3

benzene-1,4-diamine

1,4-BENZENEDIAMINE

1,4-Diaminobenzene

1,4-Phenylenediamine

4-Aminoaniline

para-phenylenediamine

p-Diaminobenzene

p-Aminoaniline

Orsin

4-Phenylenediamine

Paraphenylenediamine

p-Benzenediamine

Fouramine D

Futramine D

Benzofur D

Developer PF

Fourrine D

Fur Yellow

Santoflex IC

Santoflex LC

Durafur Black R

Pelagol D

Tertral D

Pelagol DR

Pelagol Grey D

Peltol D

Fourrine 1

Furro D

Ursol D

Renal PF

Zoba Black D

Developer 13

Nako H

BASF ursol D

Fenylenodwuamina

p-Phenyldiamine

Oxidation base 10

P-PHENYLENE DIAMINE

Rodol D

Usaf ek-394

C.I. Developer 13

Fur Black 41867

Paraphenylen-diamine

paraphenylene-diamine

p-Fenylendiamin

FUR Brown 41866

C.I. Oxidation Base 10

CI Developer 13

p-phenylenediamine base

CI Oxidation Base 10

Fur Black 41866

CI 76060

NSC 4777

CCRIS 509

C.I. 76060

CHEBI:51403

HSDB 2518

EINECS 203-404-7

UNII-U770QIT64J

U770QIT64J

DTXSID9021138

AI3-00710

NSC-4777

p-PhenylenediaMine(p-PDA)

DTXCID401138

EC 203-404-7

MFCD00007901

NCGC00159375-02

NCGC00159375-04

p-Fenylendiamin [Czech]

PARAPHENYLENEDIAMINE (MART.)

PARAPHENYLENEDIAMINE [MART.]

Fenylenodwuamina [Polish]

Black for Fur D

1,4-diaminobenzol

CAS-106-50-3

4-phenylene diamine

1,4-phenylene diamine

Phenylenediamine, para-

PARA PHENYLENE DIAMINE

p-phenylendiamine

4-amino-aniline

Aminogen II

para-diaminobenzene

ELF Color

p-phenylene-diamine

paraphenylene diamine

1,4-diamino benzene

para-phenylene diamine

Phenylenediamine, para

FOURRINE I

MAKO H

FUR BLACK R

WLN: ZR DZ

Epitope ID:114080

SCHEMBL27981

1,4-DIAMINO-BENZENE

USAF EK-391

HSDB 6256 (Salt/Mix)

CHEMBL403741

P-PHENYLENEDIAMINE [MI]

NSC4777

P-PHENYLENEDIAMINE [INCI]

C.I. 76076 (Salt/Mix)

1,4-BENZENEDIAMINE [HSDB]

AMY40784

P-PHENYLENEDIAMINE [WHO-DD]

PARAPHENYLENEDIAMINE [VANDF]

STR01091

Tox21_111615

Tox21_201993

Tox21_302943

BBL011602

STL163334

AKOS005716327

p-Phenylenediamine, sublimed, >=99%

Tox21_111615_1

1,4-Benzendiamine;1,4-Di-aminobenzol

DB14141

MCULE-9588027148

UN 1673

p-Phenylenediamine, flakes, >=99.5%

NCGC00159375-03

NCGC00159375-05

NCGC00256482-01

NCGC00259542-01

BP-31236

p-Phenylenediamine, >=99.0% (GC/NT)

PHENYLENEDIAMINE, PARA, SOLID (DOT)

NS00010864

P0170

EN300-19064

C19499

Obeo The Mee Plus Hair Color Cream Dark Brown

Obeo The Mee Plus Hair Color Cream Natural Brown

Q415024

TMCA HAIR COLOR Number Six (Natural dark brown)

p-Phenylenediamine, technical, >=97.0% (GC/NT)

1,4-Phenylenediamine 2000 microg/mL in Acetonitrile

p-Phenylenediamine [UN1673] [Keep away from food]

Z104472524

InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H

p-Phenylenediamine, zone-refined, purified by sublimation, >=99%

BEAUTIFUL WOMANS HAIR LOVES COLORFUL BUBBLES HAIR DYE 3N DARK BROWN

Microorganism:

Yes

IUPAC name

benzene-1,4-diamine

SMILES

C1=CC(=CC=C1N)N

Inchi

InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2

Formula

C₆H₈N₂

PubChem ID

7814

Molweight

108.14

LogP

-0.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds amines nitrogen compounds benzenoids

CHEBI-ID

51403

Supernatural-ID

SN0040933

mVOC Specific Details

Boiling Point

Degree	Reference
267 °C peer reviewed

Volatilization

The Henry's Law constant for 1,4-benzenediamine is estimated as 6.7X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 1,4-benzenediamine will be essentially nonvolatile from water surfaces(2,SRC). 1,4-Benzenediamine is not expected to volatilize from dry soil surfaces based on an extrapolated vapor pressure of 0.005 mm Hg at 25 deg C(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) Yaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Publ Co (1994)

Soil Adsorption

Based on a recommended classification scheme(1), an estimated Koc value of 16(SRC), determined from a measured log Kow of -0.3(2) and a recommended regression-derived equation(3), indicates that 1,4-benzenediamine is expected to have high mobility in soil(SRC); however it may form covalent bonds to humic material which would limit movement through soil(4).
Literature: (1) Swann RL et al; Res Rev 85: 23 (1983) (2) Hansch C, Leo A; Exploring QSAR Fundamentals and Applications in Chemistry and Biology. Washington, DC: Amer Chem Soc (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 5-4, 5-10 (1990) (4) Adrian P et al; Chemosphere 18: 1599-1609 (1989)

Vapor Pressure

Pressure	Reference
<1 mm Hg at 21 deg C (technical product)	IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V16 126 (1978)

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001299

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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

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

Furan-2-ylmethanol

Mass-Spectra

Compound Details

Synonymous names

FURFURYL ALCOHOL

98-00-0

2-Furanmethanol

2-Furylmethanol

furan-2-ylmethanol

2-Furancarbinol

Furfural alcohol

2-Furylcarbinol

2-Furanylmethanol

Furfuranol

2-Furfuryl alcohol

Furfurylalcohol

Furfuralcohol

5-Hydroxymethylfuran

2-(Hydroxymethyl)furan

Furyl alcohol

2-Hydroxymethylfuran

Furylcarbinol

alpha-Furylcarbinol

Furan-2-yl-methanol

2-Furfurylalkohol

Furfurylcarb

(2-furyl)methanol

Methanol, (2-furyl)-

2-hydroxymethylfurane

25212-86-6

2-Furane-methanol

Furanmethanol

Furylcarbinol (VAN)

NCI-C56224

2-furanemethanol

FEMA No. 2491

Furan-2-methanol

NSC 8843

(furan-2-yl)methanol

CCRIS 2922

HSDB 711

DTXSID2025347

CHEBI:207496

EINECS 202-626-1

Qo furfuryl alcohol

UNII-D582054MUH

BRN 0106291

Furfurylalcohol-d2

.alpha.-Furylcarbinol

alpha-Furfuryl alcohol

AI3-01171

D582054MUH

NSC-8843

.alpha.-Furfuryl alcohol

DTXCID105347

EC 202-626-1

5-17-03-00338 (Beilstein Handbook Reference)

Furfuryl alcohol, 98%

(2-FURYL)-METHANOL (FURFURYLALCOHOL)

FURFURYL ALCOHOL (IARC)

FURFURYL ALCOHOL [IARC]

2-Furfurylalkohol [Czech]

CAS-98-00-0

FURFURYLALCOHOLRESIN

UN2874

2-Hydroxymethylfuran; 2-Furylmethanol; 2-Furfurylalcohol

furylmethanol

2-Furfurylalcohol

alpha -Furylcarbinol

MFCD00003252

PFFA

(2-furyl)-Methanol

Furfuryl alcohol [UN2874] [Poison]

2-Hydroxymethyl-Furan

alpha -Furfuryl alcohol

Furfuryl alcohol, 8CI

2- FURANCARBINOL

2- FURANYLMETHANOL

2-Furfurylalkohol(CZECH)

Epitope ID:136037

furfuryl alcohol (furfurol)

WLN: T5OJ B1Q

CHEM-REZ 200

2-Furane-methanol (furfurol)

FURFURYL ALCOHOL [MI]

FURFURYL ALCOHOL [FCC]

CHEMBL308187

FURFURYL ALCOHOL [FHFI]

FURFURYL ALCOHOL [HSDB]

CHEBI:53371

FEMA 2491

Furfuryl alcohol, >=97%, FG

NSC8843

2-Furanmethanol (furfuryl alcohol)

2-Furylmethanol (ACD/Name 4.0)

STR01021

Tox21_202102

Tox21_303093

Furfuryl alcohol, analytical standard

AKOS000119178

AM81811

MCULE-4977977402

UN 2874

Furfuryl alcohol [UN2874] [Poison]

Furfuryl alcohol, natural, >=95%, FG

NCGC00249166-01

NCGC00256987-01

NCGC00259651-01

93793-62-5

DB-016149

DB-254877

F0076

NS00003728

EN300-19106

C20441

Q27335

A845784

J-521401

F0001-2310

Z104472794

InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H

Microorganism:

Yes

IUPAC name

furan-2-ylmethanol

SMILES

C1=COC(=C1)CO

Inchi

InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

Formula

C₅H₆O₂

PubChem ID

7361

Molweight

98.1

LogP

0.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic alcohols alcohols heterocyclic compounds aromatic compounds

CHEBI-ID

207496

Supernatural-ID

SN0436308

mVOC Specific Details

Boiling Point

Degree	Reference
171 °C peer reviewed

Volatilization

The Henry's Law constant for furfuryl alcohol is estimated as 7.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.609 mm Hg(1), and an assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that furfuryl alcohol is expected to be essentially nonvolatile from water surfaces(3). Furfuryl alcohol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Furfuryl alcohol may volatilize from dry soil surfaces(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) McKillip WJ, Sherman E; in Kirk-Othmer Encycl Chem Tech 3rd ed 11: 499-527 (1978) (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 furfuryl alcohol is estimated as 34(SRC), using a log Kow of 0.28(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfuryl alcohol is expected to have very high mobility in soil. The pKa of furfuryl alcohol is 9.55(4), indicating that this compound will primarily exist in its neutral form in the environment(5).
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. 13 (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 Chem Data Ser No.23. NY,NY: Pergamon pp. 989 (1979) (5) 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
0.609 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 152024

MS-MS Spectrum 89160

MS-MS Spectrum 89162

MS-MS Spectrum 152023

MS-MS Spectrum 152022

MS-MS Spectrum 89161

1D-NMR-Links

1D NMR Spectrum 4294

1D NMR Spectrum 4007

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005206

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006568

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007323

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptococcus Pneumoniae	NA	NA	Kaeslin et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Lawal et al. 2018a
Prokaryota	Staphylococcus Aureus	NA	NA	Lawal et al. 2018a
Prokaryota	Paenibacillus Ehimensis	antifungal activity against phytopathogenic fungi Colletotrichum gloeosporioides 26B	coral reefs of Providencia and Santa Catalina	Guio et al. 2020
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	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Eukaryota	Fusarium Verticillioides		NA	Dickschat et al. 2011
Prokaryota	Pseudomonas Vranovensis	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	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
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptococcus Pneumoniae	BHI	SESI-MS	no
Prokaryota	Escherichia Coli	ASM	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	ASM	TD/GC-MS	no
Prokaryota	Paenibacillus Ehimensis	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Eukaryota	Fusarium Verticillioides			no
Prokaryota	Pseudomonas Vranovensis	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	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
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	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no

S-methyl Ethanethioate

Compound Details

Synonymous names

S-Methyl thioacetate

1534-08-3

S-Methyl ethanethioate

Ethanethioic acid, S-methyl ester

Methylthioacetate

Methanethiol acetate

Thioacetic acid S-methyl ester

S-METHYLTHIOACETATE

Methyl thiolacetate

methyl ethanethioate

CH3C(O)SCH3

Acetic acid, thio-, S-methyl ester

PF2D4MWX79

1-(methylsulfanyl)ethan-1-one

Ethanethioic acid, methyl ester

UNII-PF2D4MWX79

AcSMe

EINECS 216-252-1

S-Methyl ethanethioate #

S-METHYLTHIOACETIC ACID

DTXSID3073264

FEMA NO. 3876

CHEBI:51280

FEMA 3876

S-Methyl thioacetate, AldrichCPR

S-METHYL THIOACETATE [FHFI]

MFCD00014989

AKOS006229807

CS-0154991

M2286

NS00021690

S-Methyl thioacetate, natural, >=96%, FG

D82067

InChI=1/C3H6OS/c1-3(4)5-2/h1-2H

EN300-7016730

Q-100182

Q27104783

Microorganism:

Yes

IUPAC name

S-methyl ethanethioate

SMILES

CC(=O)SC

Inchi

InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3

Formula

C₃H₆OS

PubChem ID

73750

Molweight

90.15

LogP

0.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

thioesters sulfur compounds

CHEBI-ID

51280

Supernatural-ID

SN0260357

mVOC Specific Details

Boiling Point

Degree	Reference
95 median

MS-Links

MS-MS Spectrum 132934

MS-MS Spectrum 132935

MS-MS Spectrum 132933

MS-MS Spectrum 73704

MS-MS Spectrum 73705

MS-MS Spectrum 73706

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Stenotrophomonas Rhizophila	NA	NA	Shestivska et al. 2015
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Shestivska et al. 2015
Eukaryota	Candida Albicans	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	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Neerincx et al. 2016
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
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	Ralstonia Solanacearum	na	na	Spraker et al. 2014
Prokaryota	Streptomyces Albidoflavus	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 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 Thermoviolaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Pseudomonas Chlororaphis	na	Rhizosphere of maize, Kiev region, Ukraine	Popova et al. 2014
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Prokaryota	Brevibacterium Linens	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Lactococcus Lactis	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Thermoactinomyces Vulgaris	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	Serratia Plymuthica	na	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Clostridium Difficile	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al. 2015
Prokaryota	Achromobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Rhizophila	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Brain Heart Infusion	TD/GC-MS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-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	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	no
Prokaryota	Streptomyces Albidoflavus	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 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 Thermoviolaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	LB medium	SPME-GC/MS	no
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Prokaryota	Brevibacterium Linens	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Collimonas Fungivorans		Headspace trapping/GC-MS	no
Prokaryota	Thermoactinomyces Vulgaris	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	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Clostridium Difficile	brain heart infusion agar with 7% horse blood	PTR-ToF-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	Peribacillus Sp.	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

(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

1,3-benzothiazole

Mass-Spectra

Compound Details

Synonymous names

BENZOTHIAZOLE

95-16-9

BENZO[D]THIAZOLE

1,3-Benzothiazole

Benzosulfonazole

1-Thia-3-azaindene

Vangard BT

benzothiazol

USAF EK-4812

FEMA No. 3256

CHEBI:45993

O-2857

MFCD00005775

G5BW2593EP

DTXSID7024586

NSC-8040

DTXCID204586

benzthiazole

FEMA Number 3256

CAS-95-16-9

CCRIS 7893

HSDB 2796

NSC 8040

EINECS 202-396-2

BRN 0109468

UNII-G5BW2593EP

s-benzothiazole

AI3-05742

Benzothiazole, 96%

1,3-Benzothiazole #

BENZOTHIAZOLE [MI]

Epitope ID:138946

EC 202-396-2

SCHEMBL8430

BENZOTHIAZOLE [FHFI]

BENZOTHIAZOLE [HSDB]

WLN: T56 BN DSJ

4-27-00-01069 (Beilstein Handbook Reference)

MLS001050134

Benzothiazole, >=96%, FG

CHEMBL510309

SCHEMBL9304593

NSC8040

Benzothiazole, analytical standard

AMY23315

Tox21_201853

Tox21_303232

BDBM50444460

LT0034

STL268890

AKOS000120178

AC-3297

CS-W013350

FS-4155

HY-W012634

MCULE-5257468117

NCGC00091399-01

NCGC00091399-02

NCGC00257070-01

NCGC00259402-01

BOT

SMR001216577

DB-057562

B0092

NS00000291

Benzothiazole, Vetec(TM) reagent grade, 96%

EN300-19148

D77749

AC-907/25014160

Q419096

Q-100900

F0001-2268

Z104472964

InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5

Microorganism:

Yes

IUPAC name

1,3-benzothiazole

SMILES

C1=CC=C2C(=C1)N=CS2

Inchi

InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Formula

C₇H₅NS

PubChem ID

7222

Molweight

135.19

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

nitrogen compounds benzenoids heterocyclic compounds thiazoles aromatic compounds sulfur compounds

CHEBI-ID

45993

Supernatural-ID

SN0150933

mVOC Specific Details

Boiling Point

Degree	Reference
227-228 DEG C AT 765 MM HG	Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 186

Volatilization

The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). 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) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
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)

Soil Adsorption

The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (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: 23 (1983)

MS-Links

1D-NMR-Links

1D NMR Spectrum 4002

1D NMR Spectrum 4289

Massbank-Links

Massbank Spectrum MSBNK-Antwerp_Univ-AN124202

Massbank Spectrum MSBNK-Antwerp_Univ-AN124204

Massbank Spectrum MSBNK-Antwerp_Univ-AN124208

Massbank Spectrum MSBNK-Athens_Univ-AU405606

Massbank Spectrum MSBNK-Athens_Univ-AU405608

Massbank Spectrum MSBNK-BAFG-CSL2311108601

Massbank Spectrum MSBNK-BAFG-CSL2311108602

Massbank Spectrum MSBNK-BAFG-CSL2311108603

Massbank Spectrum MSBNK-BAFG-CSL2311108604

Massbank Spectrum MSBNK-BAFG-CSL2311108605

Massbank Spectrum MSBNK-CASMI_2016-SM882102

Massbank Spectrum MSBNK-Eawag-EA034302

Massbank Spectrum MSBNK-Eawag-EA034303

Massbank Spectrum MSBNK-Eawag-EA034304

Massbank Spectrum MSBNK-Eawag-EA034305

Massbank Spectrum MSBNK-Eawag-EA034306

Massbank Spectrum MSBNK-Eawag-EA034307

Massbank Spectrum MSBNK-Eawag-EA034308

Massbank Spectrum MSBNK-Eawag-EA034309

Massbank Spectrum MSBNK-Eawag-EA034310

Massbank Spectrum MSBNK-Eawag-EA034311

Massbank Spectrum MSBNK-Eawag-EA034312

Massbank Spectrum MSBNK-Eawag-EA034313

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000473

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008217

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012060

Massbank Spectrum MSBNK-UFZ-UF420801

Massbank Spectrum MSBNK-UFZ-UF420802

Massbank Spectrum MSBNK-UFZ-UF420803

Massbank Spectrum MSBNK-UFZ-WANA042101AD6CPH

Massbank Spectrum MSBNK-UFZ-WANA042103B085PH

Massbank Spectrum MSBNK-UFZ-WANA042105070APH

Massbank Spectrum MSBNK-UFZ-WANA042111C9CFPH

Massbank Spectrum MSBNK-UFZ-WANA042113D9F1PH

Massbank Spectrum MSBNK-UFZ-WANA0421155BE0PH

Massbank Spectrum MSBNK-UFZ-WANA0421213166PH

Massbank Spectrum MSBNK-UFZ-WANA0421237762PH

Massbank Spectrum MSBNK-UFZ-WANA042125AF82PH

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Kaeslin et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Bacillus Subtilis		NA	Gao et al. 2018
Prokaryota	Bacillus Velezensis	toxic effects on fungal mycelial growth	maize seed	Massawe et al. 2018
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	Bacillus Subtilis	antifungal activity against Alternaria solani	isolate from rhizosphere of potato in Shandong and Hebei Province in China	Zhang 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 Subtilis	inhibited the mycelial growth of Lasiodiplodia theobromae L26	NA	Sudha et al. 2021
Eukaryota	Trichoderma Viride	n/a	not shown	Wheatley et al. 1997
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Pseudomonas Chlororaphis	It has been shown to inhibit development of sclerotia of fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	It has been shown to inhibit development of sclerotia of fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Cyanobacteria Sp.	It has been shown to inhibit development of sclerotia of fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Myxobacterium Sp.	It has been shown to inhibit development of sclerotia of fungi.	NA	Schulz and Dickschat 2007
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 Aurantiaca	Inhibition of mycelium growth and spore germination	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	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas (Umbria, Emilia Romagna, Border region area between Emilia Romagna and Marche)	Gioacchini et al. 2008
Eukaryota	Trichoderma Sp.		NA	Nemcovic et al. 2008
Eukaryota	Aspergillus Sp.		NA	Seifert and King 1982
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Prokaryota	Streptomyces Thermocarboxydus	NA	NA	Passari et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Maltophilia	BHI	SESI-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB) agar	HS / SPME / GC-MS	no
Prokaryota	Bacillus Velezensis	Minimal salt medium	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	Bacillus Subtilis	LB media	HS-SPME/GC-MS	yes
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no
Prokaryota	Bacillus Subtilis	nutrient agar medium	SPME/GC-MS	no
Eukaryota	Trichoderma Viride	minimal agar	VOCS were analysed by Integrated Automated Thermal Desorbtion-GC-MS. The isolates were grown on a minimal agar medium with the carbon:nitrogen levels similar to that found in Scots pine wood. Covered cultures were incubated at 25Â°C for 48h.	no
Eukaryota	Trichoderma Viride	Malt extract/Low medium	GC/MS	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	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	Nannocystis Exedens	n/a	n/a	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Trichoderma Sp.			no
Eukaryota	Aspergillus Sp.			no
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Prokaryota	Streptomyces Thermocarboxydus	actinomycetes isolation agar (AIA)	GC-MS	no

Methylsulfonylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names

2949-92-0

S-Methyl methanethiosulfonate

Methyl methanethiosulfonate

S-Methyl methanesulfonothioate

Methyl methanethiolsulfonate

Methanesulfonothioic acid, S-methyl ester

s-methyl methanethiolsulfonate

methylsulfonylsulfanylmethane

Methanethiosulfonic Acid S-Methyl Ester

Methyl methanesulfonothioate

S-Methyl methanethiosulphonate

(METHANESULFONYLSULFANYL)METHANE

dimethyl thiosulfonate

METHANESULFONIC ACID, THIO-, S-METHYL ESTER

Methyl Methanethiosulfonate-d3

methylmethanethiosulfonate

methyl methanethiolsulfate

s-methyl methylthiosulfonate

55800-37-8

CHEBI:74357

NSC21545

NSC-21545

Methanethiosulfonic acid, S-methyl ester

0906Z2356U

S-Methyl thiomethanesulfonate

CCRIS 7217

EINECS 220-970-0

NSC 21545

s-methylmethanethiosulfonate

BRN 1446059

METHYL METHANETHIO-SULFONATE

UNII-0906Z2356U

MeSSO2Me

MFCD00007565

methyl methanethiol sulfonate

methyl methanethiol-sulfonate

methylsulfonylsulfanyl-methane

s-methyl methanethionsulfonate

4-04-00-00031 (Beilstein Handbook Reference)

SCHEMBL136797

CHEMBL1236925

DTXSID8062739

S-Methyl methanethiosulfonate, 97%

BBL104000

STL557811

AKOS006221195

CS-W004461

MCULE-2094653694

METHYL METHANETHIOSULFONATE, S-

METHYL METHANETHIOSULPHONATE, S-

MS-20744

PD195134

A5499

AM20080910

M1382

NS00022002

EN300-132006

H10854

S-Methyl methanethiosulfonate, analytical standard

J-017549

InChI=1/C2H6O2S2/c1-5-6(2,3)4/h1-2H

Q27144634

S-Methyl methanethiosulfonate, purum, >=98.0% (GC)

Methyl methanethiolsulfonate;S-Methyl methanethiolsulfonate

inverted exclamation markY97.0%(GC),contains 5%-10%CH2Cl2 and HAc as stabilizer

Microorganism:

Yes

IUPAC name

methylsulfonylsulfanylmethane

SMILES

CSS(=O)(=O)C

Inchi

InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3

Formula

C₂H₆O₂S₂

PubChem ID

18064

Molweight

126.2

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfur compounds sulfonyls

CHEBI-ID

74357

Supernatural-ID

SN0443546

mVOC Specific Details

Boiling Point

Degree	Reference
266 median

MS-Links

MS-MS Spectrum 169132

MS-MS Spectrum 50974

MS-MS Spectrum 169131

MS-MS Spectrum 50975

MS-MS Spectrum 50973

MS-MS Spectrum 169133

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Loktanella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Dinoroseobacter Shibae	n/a	NA	Schulz and Dickschat 2007
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
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Eukaryota	Fusarium Sp.		NA	Dickschat et al. 2011
Eukaryota	Penicillium Sp.		NA	Citron et al. 2012
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 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	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Dinoroseobacter Shibae	n/a	n/a	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Eukaryota	Fusarium Sp.			no
Eukaryota	Penicillium Sp.			no
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no

Nonadecane

Mass-Spectra

Compound Details

Synonymous names

NONADECANE

n-Nonadecane

629-92-5

Nonadekan

UNII-NMY21D3Y5T

NMY21D3Y5T

ISTD

NONADECANE, N-

EINECS 211-116-8

NSC 77136

NSC-77136

AI3-36122

DTXSID9047170

Nonadecane-d40 98 atom % D

CHEBI:32927

HSDB 8349

CH3-[CH2]17-CH3

MFCD00009012

n-Nonadecane 10000 microg/mL in Dichloromethane

Nonadecane, analytical standard

CH3-(CH2)17-CH3

Nonadecane; NSC 77136; n-Nonadecane

nonadecan

N-NONADECANE, 99%

Nonadecane,(S)

Nonadecane, 99%

bmse000764

QSPL 079

DTXCID7027170

NSC77136

LMFA11000578

STK032371

AKOS000487358

MCULE-7331201096

AS-56223

N0282

NS00013026

S0291

D91667

AN-329/40543671

Q150911

5DFF1F48-853A-4CE2-852C-81C871EF1DA6

Microorganism:

Yes

IUPAC name

nonadecane

SMILES

CCCCCCCCCCCCCCCCCCC

Inchi

InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3

Formula

C₁₉H₄₀

PubChem ID

12401

Molweight

268.5

LogP

9.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkanes saturated hydrocarbons

CHEBI-ID

32927

Supernatural-ID

SN0212370

mVOC Specific Details

Boiling Point

Degree	Reference
330 °C peer reviewed

Volatilization

The Henry's Law constant for nonadecane is estimated as 68 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that nonadecane 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)(3) is estimated as 1.6 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)(3) is estimated as 6.5 days(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(4). Nonadecane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.9X10-5 mm Hg(5).
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) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Yaws Cl; Handbook of Vapor Pressure. Volume 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co. (1994)

Solubility

In water, 3.7X10-5 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 986
Literature: #Slightly soluble in ethanol; soluble in ethyl ether, acetone, carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-424
Literature: #Soluble in alcohol and ether
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 986

Soil Adsorption

The Koc of nonadecane is estimated as 3.2X10+5(SRC), using an estimated log Kow of 9.67(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that nonadecane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
4.9X10-5 mm Hg at 25 deg C (extrapolated)	Yaws Cl; Handbook of Vapor Pressure. Volume 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co. (1994)

MS-Links

MS-MS Spectrum 168113

MS-MS Spectrum 102310

MS-MS Spectrum 168112

MS-MS Spectrum 168111

MS-MS Spectrum 102309

MS-MS Spectrum 102311

1D-NMR-Links

1D NMR Spectrum 4223

1D NMR Spectrum 3943

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006888

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012169

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Fluorescens	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Monteilii	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Monteilii	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Putida	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Rhodesiae	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Taiwanensis	Antimicrobial	rhizosphere	Jishma et al. 2017
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.	n/a	NA	Zou et al. 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	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Prokaryota	Pseudomonas Putida	na	black pepper root	Sheoran et al. 2015
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
	Cyberlindnera Fabianii			Ma et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Fluorescens	NB	GS-MS	no
Prokaryota	Pseudomonas Monteilii	NB	GS-MS	no
Prokaryota	Pseudomonas Monteilii	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Putida	NB	GS-MS	no
Prokaryota	Pseudomonas Rhodesiae	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Taiwanensis	NB	GS-MS	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	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Solvent extraction with hexane, 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
	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no

Pentadecane

Mass-Spectra

Compound Details

Synonymous names

Pentadecane

N-PENTADECANE

629-62-9

Pentadekan

Pentadecane, n-

HSDB 5729

EINECS 211-098-1

NSC 172781

UNII-16H6K2S8M2

BRN 1698194

DTXSID6027268

CHEBI:28897

16H6K2S8M2

MFCD00008990

NSC-172781

DTXCID107268

EC 211-098-1

CH3-[CH2]13-CH3

4-01-00-00529 (Beilstein Handbook Reference)

n-Pentadecane 100 microg/mL in Acetonitrile

Pentadecane, analytical standard

CH3-(CH2)13-CH3

Pentadecane; NSC 172781; n-Pentadecane

pentadecan

dipentylfumarate

Medicinal Plant

1-Penfadecane,(S)

PENTADECANE (N)

Pentadecane, >=99%

PENTADECANE [INCI]

ghl.PD_Mitscher_leg0.43

N-PENTADECANE [HSDB]

CH3(CH2)13CH3

CHEMBL1234557

UNII: 16H6K2S8M2

Pentadecane_Ramanathan &Gurudeeban

Pentadecane, >=98.0% (GC)

Tox21_300535

LMFA11000006

NSC172781

STL280516

AKOS015902386

MCULE-1292711626

NCGC00164185-01

NCGC00164185-02

NCGC00254392-01

CAS-629-62-9

LS-14458

NS00003105

P0606

C08388

D97801

Q150831

896D4B7E-BF33-4D54-82CE-7360D88E8DC8

Microorganism:

Yes

IUPAC name

pentadecane

SMILES

CCCCCCCCCCCCCCC

Inchi

InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

Formula

C₁₅H₃₂

PubChem ID

12391

Molweight

212.41

LogP

7.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkanes saturated hydrocarbons

CHEBI-ID

28897

Supernatural-ID

SN0446675

mVOC Specific Details

Boiling Point

Degree	Reference
270.6 °C peer reviewed

Volatilization

The Henry's Law constant for n-pentadecane is estimated as 34.4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00492 mm Hg(1), and water solubility, 4X10-5 mg/L(2). This Henry's Law constant indicates that n-pentadecane is expected to volatilize rapidly 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 4 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)(3) is estimated as 5.8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 30 months if adsorption is considered(4). n-Pentadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Pentadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Washington, DC: Taylor & Francis, (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 1081 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Solubility

In water, 4.0X10-5 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806
Literature: #Very soluble in ethyl ether, ethanol
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-436

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-pentadecane can be estimated to be 29,200(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentadecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-pentadecane (present in JP-4 jet fuel) was transported to a depth of 50 cm; at the end of the study (134 days), it was still detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton,OH: Monsanto Research Corp. pp. 173 (1982)

Vapor Pressure

Pressure	Reference
4.92X10-3 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Washington, DC: Taylor & Francis (1994)

MS-Links

MS-MS Spectrum 143044

MS-MS Spectrum 81836

MS-MS Spectrum 143045

MS-MS Spectrum 81834

MS-MS Spectrum 143043

MS-MS Spectrum 81835

1D-NMR-Links

1D NMR Spectrum 3558 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3693 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005848

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005935

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006882

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007689

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008222

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012164

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Fluorescens	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Putida	Plant growth promotion and ISR	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Taiwanensis	Plant growth promotion	rhizosphere	Jishma et al. 2017
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 Velezensis		maize seed	Massawe et al. 2018
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Streptomyces Philanthi	antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4	NA	Boukaew and Prasertsan 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
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
Eukaryota	Trichoderma Harzianum	n/a	NA	Zhang et al. 2014
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
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	Pseudomonas Brassicacearum	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Putida	na	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
	Lactiplantibacillus Plantarum			Chen et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Fluorescens	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Putida	NB	GS-MS	no
Prokaryota	Pseudomonas Taiwanensis	MR-VP broth	GS-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 Velezensis	Minimal salt medium	SPME, GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Streptomyces Philanthi	sterile wheat seeds	GC-MS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	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
Eukaryota	Trichoderma Harzianum	Minimal media	SPME/GC-MS	no
Prokaryota	Burkholderia Sacchari	LB, 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	n/a	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Prokaryota	Pseudomonas Brassicacearum	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	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	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
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no

Results for: Species: Pseudomonas aurantiaca Signature

Benzaldehyde

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1H-indole

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2,5-dimethylpyrazine

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2,3,5-trimethylpyrazine

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2,3,5,6-tetramethylpyrazine

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Pyrazine

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2-methylquinoxaline

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Furan-2-carbaldehyde

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Benzyl Acetate

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1-phenylethanone

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Benzene-1,4-diamine

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Phenylmethanol

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Furan-2-ylmethanol

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S-methyl Ethanethioate

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(methyltrisulfanyl)methane

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(methyldisulfanyl)methane

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1,3-benzothiazole

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Methylsulfonylsulfanylmethane

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Nonadecane

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Pentadecane

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Results for:
Species: Pseudomonas aurantiaca

Signature