Results for:
Species: Paenibacillus polymyxa

Signature

Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names

benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

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

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

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

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

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

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

Microorganism:

Yes

IUPAC name

benzaldehyde

SMILES

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

Inchi

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

Formula

C₇H₆O

PubChem ID

240

Molweight

106.12

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

17169

Supernatural-ID

SN0135798

mVOC Specific Details

Boiling Point

Degree	Reference
178.7 °C peer reviewed

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

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

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

MS-MS Spectrum 20462

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

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

MS-MS Spectrum 226368

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

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

MS-MS Spectrum 20464

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

1D-NMR-Links

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

1D NMR Spectrum 4018

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003416

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003547

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004667

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008775

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS000801

Species emitting the compound

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

Method

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

2-methyl-5-propan-2-ylpyrazine

Compound Details

Synonymous names

2-Isopropyl-5-methylpyrazine

13925-05-8

2-Methyl-5-(1-methylethyl)pyrazine

Pyrazine, 2-methyl-5-(1-methylethyl)-

2-methyl-5-propan-2-ylpyrazine

2-Methyl-5-isopropylpyrazine

5-Isopropyl-2-methylpyrazine

2-methyl-5-isopropyl pyrazine

Pyrazine, 2-isopropyl-5-methyl-

FEMA No. 3554

818RIW504V

2-methyl-5-(propan-2-yl)pyrazine

UNII-818RIW504V

2-Methyl-5-i-propylpyrazin

SCHEMBL179362

2-isopropyl-5-methyl-pyrazine

DTXSID7065677

FEMA 3554

CHEBI:193643

2-Methyl-5-(1-methylethyl)-Pyrazine

AKOS006326657

AS-59519

2-Methyl-5-(1-methylethyl)pyrazine, 9CI

DB-116848

5-ISOPROPYL-2-METHYLPYRAZINE [FHFI]

CS-0059950

NS00124338

W18369

A922235

Q27269228

Microorganism:

Yes

IUPAC name

2-methyl-5-propan-2-ylpyrazine

SMILES

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

Inchi

InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3

Formula

C₈H₁₂N₂

PubChem ID

61700

Molweight

136.19

LogP

1.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds heterocyclic compounds pyrazines nitrogen compounds

CHEBI-ID

193643

Supernatural-ID

SN0284993

mVOC Specific Details

Boiling Point

Degree	Reference
190 median

MS-Links

MS-MS Spectrum 79191

MS-MS Spectrum 139732

MS-MS Spectrum 139731

MS-MS Spectrum 79193

MS-MS Spectrum 79192

MS-MS Spectrum 139733

MS-Links

GC-MS Spectrum 2991

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Prokaryota	Bacillus Subtilis			Zhang et al. 2021
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere	Groenhagen et al. 2013
Prokaryota	Sulfitobacter Pontiacus	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Loktanella Hongkongensis	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Roseobacter Gallaeciensis	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Sulfitobacter Sp.	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Stappia Marina	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Dinoroseobacter Shibae	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Jannaschia Helgolandensis	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Oceanibulbus Indolifex	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Chondromyces Crocatus	n/a	NA	Dickschat et al. 2005_6

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian FE supp.	SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Landy media	HS-SPME/GC-MS	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no
Prokaryota	Klebsiella Pneumoniae	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Sulfitobacter Pontiacus	n/a	n/a	no
Prokaryota	Loktanella Hongkongensis	n/a	n/a	no
Prokaryota	Roseobacter Gallaeciensis	n/a	n/a	no
Prokaryota	Sulfitobacter Sp.	n/a	n/a	no
Prokaryota	Stappia Marina	n/a	n/a	no
Prokaryota	Dinoroseobacter Shibae	n/a	n/a	no
Prokaryota	Jannaschia Helgolandensis	n/a	n/a	no
Prokaryota	Oceanibulbus Indolifex	n/a	n/a	no

2-propan-2-ylpyrazine

Mass-Spectra

Compound Details

Synonymous names

2-Isopropylpyrazine

29460-90-0

Isopropylpyrazine

2-propan-2-ylpyrazine

(1-Methylethyl)pyrazine

Pyrazine, (1-methylethyl)-

2-Isopropyl pyrazine

Pyrazine, 2-(1-methylethyl)-

14XE115G58

UNII-14XE115G58

EINECS 249-646-7

(1-methylethyl)-Pyrazine

2-(propan-2-yl)pyrazine

PYRAZINE, ISOPROPYL-

2-(1-Methylethyl)-Pyrazine

SCHEMBL681871

(1-Methylethyl)pyrazine, 9CI

2-Isopropylpyrazine, AldrichCPR

DTXSID5067471

FEMA NO. 3940

SCHEMBL18431878

SCHEMBL19661169

FEMA 3940

CHEBI:191898

2-ISOPROPYLPYRAZINE [FHFI]

AKOS006229986

DB-003282

NS00022001

A819924

W-106988

Q27251657

Microorganism:

Yes

IUPAC name

2-propan-2-ylpyrazine

SMILES

CC(C)C1=NC=CN=C1

Inchi

InChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3

Formula

C₇H₁₀N₂

PubChem ID

34590

Molweight

122.17

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds heterocyclic compounds pyrazines nitrogen compounds

CHEBI-ID

191898

Supernatural-ID

SN0106633

mVOC Specific Details

Boiling Point

Degree	Reference
70 median

MS-Links

MS-MS Spectrum 159196

MS-MS Spectrum 159197

MS-MS Spectrum 50506

MS-MS Spectrum 159195

MS-MS Spectrum 50505

MS-MS Spectrum 50507

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	no

2-methyl-3-propan-2-ylpyrazine

Compound Details

Synonymous names

2-Isopropyl-3-methylpyrazine

15986-81-9

2-Methyl-3-isopropylpyrazine

2-methyl-3-propan-2-ylpyrazine

Pyrazine, 2-methyl-3-(1-methylethyl)-

2-methyl-3-(propan-2-yl)pyrazine

3-Isopropyl-2-methylpyrazine

2-Isopropyl-3-methyl-pyrazine

CHEMBL275759

SCHEMBL2550967

SCHEMBL4729929

2-Isopropyl-3-methylpyrazine #

2-Methyl-3-iso-propyl pyrazine

Pyrazine, 2-methyl-3-isopropyl

DTXSID70333918

LNSYLBDZKBWDNL-UHFFFAOYSA-N

Pyrazine, 2-methyl-3-(1-methylethyl)

DB-314114

NS00113890

A851548

Q63409484

Microorganism:

Yes

IUPAC name

2-methyl-3-propan-2-ylpyrazine

SMILES

CC1=NC=CN=C1C(C)C

Inchi

InChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3

Formula

C₈H₁₂N₂

PubChem ID

519203

Molweight

136.19

LogP

1.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007772

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB media, TSA media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB media, TSA media, Landy media	HS-SPME/GC-MS	no

2-(2-methylpropyl)pyrazine

Compound Details

Synonymous names

2-ISOBUTYLPYRAZINE

29460-92-2

2-(2-methylpropyl)pyrazine

Isobutylpyrazine

(2-Methylpropyl)pyrazine

Pyrazine, (2-methylpropyl)-

Pyrazine, 2-(2-methylpropyl)-

2-Isobutyl pyrazine

EINECS 249-647-2

2-Isobutyl-pyrazine

SCHEMBL510583

CHEMBL317788

SCHEMBL24317804

SCHEMBL25619094

DTXSID80183668

MFCD00156150

AKOS006227754

AC-16632

DB-068120

NS00050465

W-106987

Microorganism:

Yes

IUPAC name

2-(2-methylpropyl)pyrazine

SMILES

CC(C)CC1=NC=CN=C1

Inchi

InChI=1S/C8H12N2/c1-7(2)5-8-6-9-3-4-10-8/h3-4,6-7H,5H2,1-2H3

Formula

C₈H₁₂N₂

PubChem ID

34591

Molweight

136.19

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

Supernatural-ID

SN0444928

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2,3-diethyl-5-methylpyrazine

Mass-Spectra

Compound Details

Synonymous names

2,3-DIETHYL-5-METHYLPYRAZINE

18138-04-0

Pyrazine, 2,3-diethyl-5-methyl-

2,3-Diethyl-6-methylpyrazine

2-Methyl-5,6-diethylpyrazine

5-Methyl-2,3-diethylpyrazine

FEMA No. 3336

2,3-diethyl-5-methyl-pyrazine

530763R0AP

hazelnut pyrazine

MLS000515960

UNII-530763R0AP

EINECS 242-024-6

SCHEMBL756047

CHEMBL1904383

DTXSID6066317

FEMA 3336

PSINWXIDJYEXLO-UHFFFAOYSA-

CHEBI:193685

HMS2269E08

METHYL-5,6-DIETHYLPYRAZINE

AMY23188

MFCD00009635

2,3-Diethyl-5-methylpyrazine, 99%

AKOS015838583

CS-W016320

MCULE-9640927466

NCGC00247002-01

AC-16405

AS-59328

SMR000112429

2,3-Diethyl-5-methylpyrazine, 99%, FG

DB-019730

D1714

NS00021776

2,3-DIETHYL-5-METHYLPYRAZINE [FHFI]

D81788

2,3-Diethyl-5-methylpyrazine, analytical standard

A812612

Q-100216

Q27261047

InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3

Microorganism:

Yes

IUPAC name

2,3-diethyl-5-methylpyrazine

SMILES

CCC1=NC=C(N=C1CC)C

Inchi

InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3

Formula

C₉H₁₄N₂

PubChem ID

28905

Molweight

150.22

LogP

1.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

CHEBI-ID

193685

Supernatural-ID

SN0293902

mVOC Specific Details

MS-Links

MS-MS Spectrum 88140

MS-MS Spectrum 150820

MS-MS Spectrum 244490

MS-MS Spectrum 150821

MS-MS Spectrum 235499

MS-MS Spectrum 88142

MS-MS Spectrum 150819

MS-MS Spectrum 88141

1D-NMR-Links

1D NMR Spectrum 4120

1D NMR Spectrum 3853

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian	SPME/GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, TSA media	HS-SPME/GC-MS	no

2-but-1-en-2-yl-5-propan-2-ylpyrazine

Compound Details

Synonymous names

2-isopropyl-5-buten-2-yl-pyrazine

Microorganism:

Yes

IUPAC name

2-but-1-en-2-yl-5-propan-2-ylpyrazine

SMILES

CCC(=C)C1=NC=C(N=C1)C(C)C

Inchi

InChI=1S/C11H16N2/c1-5-9(4)11-7-12-10(6-13-11)8(2)3/h6-8H,4-5H2,1-3H3

Formula

C₁₁H₁₆N₂

PubChem ID

129866837

Molweight

176.26

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines ethers heterocyclic compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no

2-pentylfuran

Mass-Spectra

Compound Details

Synonymous names

2-PENTYLFURAN

3777-69-3

2-Amylfuran

2-n-Pentylfuran

Furan, 2-pentyl-

Furan, pentyl-

PENTYLFURAN

FEMA No. 3317

6I0QAJ1JZQ

DTXSID9047679

CHEBI:89197

64079-01-2

2-Pentylfuran (natural)

2-(N-Pentyl)furan

EINECS 223-234-7

UNII-6I0QAJ1JZQ

BRN 0107854

2-pentylfurane

CCRIS 8807

2-pentyl-furan

2-Pentylfuran; 2-Amylfuran; 2-n-Pentylfuran; Dihydro-5-pentyl-2(hydro)-furan

Furane, 2-pentyl

MFCD00036497

AMYLFURAN

5-17-01-00390 (Beilstein Handbook Reference)

2-Amylfuran; 2-Pentyl furan

2-PENTYLFURAN [FHFI]

Amyl furan (2-Pentyl furan)

SCHEMBL221257

CHEMBL3182720

DTXCID7027679

2-Pentylfuran, >=98%, FG

FEMA 3317

2-Pentylfuran, analytical standard

HY-N7398

Tox21_303542

s9334

AKOS015913798

SB61015

NCGC00257337-01

BS-22948

PD144438

CAS-3777-69-3

DB-003325

CS-0119428

NS00011970

P1209

2-Pentylfuran 100 microg/mL in Acetonitrile

2-Pentylfuran, natural (US), >=97%, FG

H11330

EN300-7399562

A823863

W-106514

Q27161382

Z1255423587

Microorganism:

Yes

IUPAC name

2-pentylfuran

SMILES

CCCCCC1=CC=CO1

Inchi

InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

Formula

C₉H₁₄O

PubChem ID

19602

Molweight

138.21

LogP

3.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers heterocyclic compounds furan derivatives

CHEBI-ID

89197

Supernatural-ID

SN0461056

mVOC Specific Details

Boiling Point

Degree	Reference
64 median

MS-Links

MS-MS Spectrum 64323

MS-MS Spectrum 121450

MS-MS Spectrum 121451

MS-MS Spectrum 64325

MS-MS Spectrum 64324

MS-MS Spectrum 121449

1D-NMR-Links

1D NMR Spectrum 4137

1D NMR Spectrum 3868

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007731

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
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
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
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	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	Trichoderma Viride		NA	Moisan et al. 2021
Eukaryota	Trichoderma Asperellum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Cotxarrera et al., 2002	Lazazzara et al. 2021
Eukaryota	Trichoderma Atroviride	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Pertot et al., 2008	Lazazzara et al. 2021
Eukaryota	Trichoderma Harzianum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Eladet al., 1997	Lazazzara et al. 2021
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
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 Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Aspergillus Flavus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Parasiticus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Niger	n/a	NA	Beck et al. 2012
Eukaryota	Penicillium Glabrum	n/a	NA	Beck et al. 2012
Eukaryota	Rhizopus Stolonifer	n/a	NA	Beck et al. 2012
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Tuber Aestivum	na	Tarsul (as normal forest); Daix (man made orchard)	Molinier et al. 2015
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
Eukaryota	Trichoderma Atroviride		NA	Stoppacher et al. 2010
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	SPME/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
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	yes
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	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 Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Aspergillus Flavus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Parasiticus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Niger	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Penicillium Glabrum	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Rhizopus Stolonifer	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Tuber Aestivum	na	SPME-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
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/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	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

2,6-ditert-butyl-4-methylphenol

Mass-Spectra

Compound Details

Synonymous names

2,6-Di-tert-butyl-4-methylphenol

128-37-0

Butylhydroxytoluene

2,6-Di-tert-butyl-p-cresol

2,6-Di-t-butyl-4-methylphenol

Ionol

DBPC

Stavox

BHT

Impruvol

Ionol CP

Dalpac

Deenax

Dibunol

Ionole

Kerabit

Topanol

Vianol

Antioxidant KB

Antioxidant 4K

Sumilizer BHT

Topanol O

Topanol OC

Vanlube PC

Antioxidant 29

Antioxidant 30

Antioxidant DBPC

Sustane BHT

Tenamene 3

Vanlube PCX

Nonox TBC

Tenox BHT

Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-

Chemanox 11

Agidol

Catalin CAO-3

Ionol 1

Advastab 401

3,5-Di-tert-butyl-4-hydroxytoluene

BUKS

Parabar 441

2,6-ditert-butyl-4-methylphenol

Antrancine 8

Vulkanox KB

Catalin antioxydant 1

2,6-Di-tert-butyl-4-cresol

Ionol (antioxidant)

Paranox 441

2,6-Bis(1,1-dimethylethyl)-4-methylphenol

Antioxidant MPJ

Antioxidant 4

Alkofen BP

AO 4K

CAO 1

CAO 3

Di-tert-butyl-p-cresol

Di-tert-butyl-p-methylphenol

Swanox BHT

Antox QT

Tenamen 3

Agidol 1

Antioxidant 264

Bht (food grade)

o-Di-tert-butyl-p-methylphenol

Antioxidant T 501

Ional

Nocrac 200

AO 29

NCI-C03598

2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene

2,6-Di-tert-butyl-p-methylphenol

2,6-Di-terc.butyl-p-kresol

Dbpc (technical grade)

4-Hydroxy-3,5-di-tert-butyltoluene

FEMA No. 2184

4-Methyl-2,6-tert-butylphenol

Butylhydroxytoluenum

Di-tert-butylcresol

AOX 4K

Dibutylhydroxytoluene

2,6-ditert-butyl-4-methyl-phenol

Ionol CP-antioxidant

P 21

2,6-DI-T-BUTYL-P-CRESOL

4-Methyl-2,6-di-tert-butylphenol

AOX 4

Butyl hydroxy toluene

CCRIS 103

Popol

HSDB 1147

BHT 264

Bht(food grade)

NSC 6347

NSC-6347

4-Methyl-2,6-di-terc. butylfenol

EINECS 204-881-4

Ionol BHT

Ralox BHT

2,6-Di-tert-butyl-4-hydroxytoluene

2,6-Di-tert-butyl-4-methyl-phenol

1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene

MFCD00011644

2,6-ditertiary-butyl-p-cresol

Dbpc(technical grade)

DTXSID2020216

E321

CHEBI:34247

2,6-Di-tert-butyl-4-methylhydroxybenzene

AI3-19683

p-Cresol, 2,6-di-tert-butyl-

INS-321

1P9D0Z171K

2,6-bis(tert-butyl)-4-methylphenol

2,6-Di-tert-butylcresol

CHEMBL146

Di-tert-Butyl-4-methylphenol

DTXCID20216

INS NO.321

E-321

FEMA 2184

NSC6347

2,6-di-tert-butyl-4-methyl phenol

NCGC00091761-03

Tonarol

Toxolan P

Caswell No. 291A

2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3

Annulex BHT

BUTYLHYDROXYTOLUENE (EP MONOGRAPH)

BUTYLHYDROXYTOLUENE [EP MONOGRAPH]

CAS-128-37-0

Butylohydroksytoluenu

Butylohydroksytoluenu [Polish]

Di-tert-butyl-p-cresol (VAN)

di-tert-butyl-methylphenol

Di tert butyl methylphenol

2,6-Di-terc.butyl-p-kresol [Czech]

EPA Pesticide Chemical Code 022105

2,6 Di tert butyl p cresol

UNII-1P9D0Z171K

4-Methyl-2,6-di-terc. butylfenol [Czech]

2,6 Di t butyl 4 methylphenol

Lowinox BHT

Nipanox BHT

BHT Swanox

BHT, food grade

4-Methyl-2,6-di-t-butyl-phenol

2, food grade

2,6 Di tert butyl 4 methylphenol

3IM

Dibutyl-para-cresol

NAUGARD BHT

PERMANAX BHT

TOPANOL BHT

YOSHINOX BHT

ANTAGE BHT

TOPANOL OL

VANOX PC

IONOL K

Spectrum_001790

BHT FCC/NF

SpecPlus_000768

CATALIN CAO 3

Methyldi-tert-butylphenol

Spectrum3_001849

Spectrum5_001612

BHT [INCI]

Hydagen DEO (Salt/Mix)

BHT [FCC]

LUBRIZOL 817

ULTRANOX 226

EC 204-881-4

2,6-di-Butyl-para-cresol

2.6-di-t-butyl-p-cresol

SCHEMBL3950

2,6-ditert-butyl-p-cresol

p-Cresol,6-di-tert-butyl-

Di-tert-Butylparamethylphenol

BSPBio_003238

KBioSS_002281

2,6-di-tert.butyl-p-cresol

IONOL 330

MLS000069425

BIDD:ER0031

DivK1c_006864

P 21 (PHENOL)

SPECTRUM1600716

2,6-bis-tert-butyl-p-cresol

2,6-di-tert-butyl-paracresol

2,6-di-tert-butylmethylphenol

2,6-di-tert. butyl-p-cresol

2,6-di-tert.-butyl-p-cresol

T 501 (PHENOL)

2,6-di-tert-butyl-para-cresol

2,6-di-tert-Butyl-methylphenol

2,6-ditertbutyl-4-methylphenol

2,6-di-t butyl-4-methylphenol

2.6-di-t-butyl-4-methylphenol

KBio1_001808

KBio2_002280

KBio2_004848

KBio2_007416

KBio3_002738

2,6-di-tert-butyl-4-methylenol

2,6-di-tert-butyl-4methylphenol

2,6-di-tert-butyl4-methylphenol

2,6-di-tertbutyl-4-methylphenol

2,6-ditert.butyl-4-methylphenol

BHT1506

2,6-Di(tert-butyl)hydroxytoluene

18 - Anti-oxidants in copra oil

2,6-di(t-butyl)-4-methylphenol

2,6-di-t- butyl-4-methylphenol

2,6-di-t-butyl 4-methyl phenol

2,6-di-t-butyl-4-methyl phenol

2,6-di-t-butyl-4-methyl-phenol

3,5-di-t-butyl-4-hydroxytoluene

HMS2091E21

HMS2231M22

HMS3369G17

HMS3750M21

Pharmakon1600-01600716

2,1-dimethylethyl)-4-methylphenol

2,6-di-tert-butyl 4-methylphenol

2,6-di-tert-butyl-4 methylphenol

2,6-di-tert-butyl4-methyl phenol

2,6-di-tert.butyl-4-methylphenol

2,6-ditert.-butyl-4-methylphenol

2.6-di-tert-butyl-4-methylphenol

4-methyl-2,6-di-tert.butylphenol

2,6-di-ter-butyl-4-methyl-phenol

2,6-Di-tert.-Butyl4-methylphenol

2,6-ditertiarybutyl-4-methylphenol

2.6-di- t-butyl- 4-methylphenol

AMY40200

HY-Y0172

STR04334

2,6 -di-tert-butyl-4-methylphenol

2,6-di(tert-butyl)-4-methylphenol

2,6-Di-tert-butyl-p-cresol, 8CI

2,6-di-tert.-butyl-4-methylphenol

Tox21_113537

Tox21_201093

Tox21_303408

2,6-di-tert-butyl-p-cresol (BHT)

2,6-Di-tert-butyl-para-methylphenol

BDBM50079507

NSC759563

s6202

STL277184

2,6-di-tert. butyl-4-methyl phenol

2,6-Di-(tert-butyl)-4-methylphenol

AKOS000269037

Tox21_113537_1

CCG-207937

CS-W020053

MCULE-4627478482

NSC-759563

2,6-TERT-BUTYL-4-METHYLPHENOL

Phenol, 2,6-di-tert-butyl-4-methyl-

NCGC00091761-01

NCGC00091761-02

NCGC00091761-04

NCGC00091761-05

NCGC00091761-06

NCGC00091761-07

NCGC00257275-01

NCGC00258645-01

AC-10553

SMR000059076

2,6-Di-tert-butyl-4-methylphenol (BHT)

2,6-Di-tert-butyl-4-methylphenol, 99%

BUTYLHYDROXYTOLUENUM [WHO-IP LATIN]

SBI-0052890.P002

4-HYDROXY-3,5-DI-T-BUTYL-TOLUENE

2,6-Di-tert-butyl-4-methylphenol, >=99%

D0228

NS00010740

Phenol,6-bis(1,1-dimethylethyl)-4-methyl-

T 501

2,6-bis-(1,1-dimethylethyl)-4-methylphenol

4-Methyl-2,6- di(1,1-dimethylethyl)phenol

4-METHYL-2,6-DITERTIARY-BUTYL-PHENOL

EN300-52982

PK04_181024

2,6-Di-tert-butyl-1-hydroxy-4-methyl benzene

D02413

D77866

MLS-0146297.0001

AB00053233_09

Phenol, 3,5-bis(1,1-dimethylethyl)-4-methyl-

2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI

2,6-Di-tert-butyl-4-methylphenol, puriss., 99%

A937188

AC-907/25014329

Q221945

SR-01000735918

SR-01000735918-2

W-108376

9FC4DFC8-480D-487C-A74A-2EC9EECE92C4

BENZENE,1,3-DITERT.BUTYL,2-HYDROXY,5-METHYL

BRD-K53153417-001-01-3

BRD-K53153417-001-06-2

F0001-0395

Z764922868

2,6-Di-tert-butyl-4-methylphenol, purum, >=99.0% (GC)

WLN: 1X1 & 1 & R BQ E1 CX1 & 1 & 1

2,6-Di-tert-butyl-4-methylphenol, >=99.0% (GC), powder

2,6-Di-tert-butyl-4-methylphenol, SAJ first grade, >=99.0%

2,6-Di-tert-butyl-4-methylphenol, tested according to Ph.Eur.

3,5-Di-tert-4-butylhydroxytoluene (BHT), analytical standard

2,6-Di-tert-butyl-4-methylphenol 1000 microg/mL in Acetonitrile

Butylhydroxytoluene, European Pharmacopoeia (EP) Reference Standard

2,6-Di-tert-butyl-4-methylphenol, certified reference material, TraceCERT(R)

2,6-DI-TERT-BUTYL-P-CRESOL2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYL-PHENOL

InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H

Microorganism:

Yes

IUPAC name

2,6-ditert-butyl-4-methylphenol

SMILES

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

Inchi

InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

Formula

C₁₅H₂₄O

PubChem ID

31404

Molweight

220.35

LogP

5.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds phenols benzenoids

CHEBI-ID

34247

Supernatural-ID

SN0249165

mVOC Specific Details

Boiling Point

Degree	Reference
265 °C peer reviewed

Volatilization

The Henry's Law constant for 2,6-di-t-butyl-p-cresol is estimated as 2.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). 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 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 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 120 days when adsorption is considered(3). 2,6-Di-t-butyl-p-cresol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2,6-Di-t-butyl-p-cresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.16X10-3 mm Hg(4).
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) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,6-di-t-butyl-p-cresol can be estimated to be 1.5X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,6-di-t-butyl-p-cresol 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 3, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
5.16X10-3 mm Hg at 25 deg C	Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984)

MS-Links

MS-MS Spectrum 132397

MS-MS Spectrum 51483

MS-MS Spectrum 132398

MS-MS Spectrum 51485

MS-MS Spectrum 132396

MS-MS Spectrum 51484

1D-NMR-Links

1D NMR Spectrum 2213 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2907 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Athens_Univ-AU245401

Massbank Spectrum MSBNK-Athens_Univ-AU245402

Massbank Spectrum MSBNK-Athens_Univ-AU245403

Massbank Spectrum MSBNK-Athens_Univ-AU245404

Massbank Spectrum MSBNK-Athens_Univ-AU245406

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000912

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003554

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008417

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008432

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009490

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
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
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	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	Arthrobacter Agilis	na	rhizosphere of maize plants	Velázquez-Becerra et al. 2011
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	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	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	Arthrobacter Agilis	LB medium	SPME-GC/MS	no
Prokaryota	Shewanella Algae	NA medium	SPME-GC/MS	yes
Prokaryota	Serratia Proteamaculans	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	no
Prokaryota	Pseudomonas Fragi	n/a	n/a	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

2,3,5-trimethylphenol

Compound Details

Synonymous names

2,3,5-TRIMETHYLPHENOL

697-82-5

Isopseudocumenol

1-Hydroxy-2,3,5-trimethylbenzene

Phenol, 2,3,5-trimethyl-

70969-66-3

Phenol, 2,3,5(or 3,4,5)-trimethyl-

MFCD00002228

DTXSID3047184

CHEBI:38570

1S1061ZBQ1

NSC-5296

2,3,5-Trimethylphenol 100 microg/mL in Methanol

6-HYDROXYPSEUDOCUMENE

UNII-1S1061ZBQ1

NSC5296

NSC 5296

EINECS 211-806-9

2,3,5-Trimethyphenol

Phenol,3,5-trimethyl-

2,3,5-trimethyl-phenol

2, 3, 5-Trimethylphenol

SCHEMBL205747

CHEMBL3182604

DTXCID1027184

2,3,5-Trimethylphenol, 99%

STR04504

Tox21_302716

AKOS000274544

CCG-302509

CS-W016528

HY-W015812

MCULE-2192690980

NCGC00256639-01

AC-10653

CAS-697-82-5

DB-025388

METACRESOL IMPURITY M [EP IMPURITY]

AM20061097

NS00006029

T0485

EN300-22345

A836645

W-104590

Q27117905

F0001-1811

Z147642480

2,3,5-Trimethylphenol, PESTANAL(R), analytical standard

InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H

Microorganism:

Yes

IUPAC name

2,3,5-trimethylphenol

SMILES

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

Inchi

InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3

Formula

C₉H₁₂O

PubChem ID

12769

Molweight

136.19

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds phenols benzenoids

CHEBI-ID

38570

Supernatural-ID

SN0264915

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes

2-methoxy-4-methyl-1-propan-2-ylbenzene

Compound Details

Synonymous names

1076-56-8

2-Isopropyl-5-methylanisole

Thymol methyl ether

O-Methylthymol

Thymyl methyl ether

1-Isopropyl-2-methoxy-4-methylbenzene

Methyl thymyl ether

3-Methoxy-p-cymene

4-Isopropyl-3-methoxytoluene

Methyl thymol ether

Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-

Benzene,2-methoxy-4-methyl-1-(1-methylethyl)-

ANISOLE, 2-ISOPROPYL-5-METHYL-

2-methoxy-4-methyl-1-propan-2-ylbenzene

1-Methyl-3-methoxy-4-isopropylbenzene

methylthymol

FEMA No. 3436

Thymol methyl

thymol Me ether

2-methoxy-4-methyl-1-(propan-2-yl)benzene

2-Methoxy-4-methyl-1-(1-methylethyl)benzene

VTE0C4390U

DTXSID5047617

NSC-404221

Methylthymol, o-

EINECS 214-063-9

NSC 404221

BRN 2042889

UNII-VTE0C4390U

AI3-03431

thymyl methyl oxide

Methyl THYMYL oxide

starbld0009587

Thymol derivative, 21

Fema3436

4-06-00-03335 (Beilstein Handbook Reference)

:2-Isopropyl-5-methylanisole

3-METHOXY-PARA-CYMENE

SCHEMBL196752

2-Isopropyl-5-methyl-Anisole

CHEMBL2424841

DTXCID3027617

CHEBI:167336

BDBM248170

Tox21_302575

MFCD01674973

NSC404221

2-ISO PROPYL-5-METHYLANISOLE

AKOS015914183

Thymol methyl ether (= methyl thymol)

NCGC00256877-01

LS-13985

CAS-1076-56-8

CS-0335474

I0996

NS00012741

1-Methyl-3-methoxy-4-isopropylbenzene, 98%

D91215

Q27292012

1-METHYL-3-METHOXY-4-ISOPROPYL BENZENE [FHFI]

1-Isopropyl-2-methoxy-4-methylbenzene, analytical standard

Microorganism:

Yes

IUPAC name

2-methoxy-4-methyl-1-propan-2-ylbenzene

SMILES

CC1=CC(=C(C=C1)C(C)C)OC

Inchi

InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3

Formula

C₁₁H₁₆O

PubChem ID

14104

Molweight

164.24

LogP

3.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers benzenoids

CHEBI-ID

167336

Supernatural-ID

SN0214338

mVOC Specific Details

Boiling Point

Degree	Reference
214 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes

2-methyl-6-propan-2-ylpyrazine

Compound Details

Synonymous names

2-Isopropyl-6-methylpyrazine

24541-74-0

Pyrazine, 2-methyl-6-(1-methylethyl)-

2-methyl-6-propan-2-ylpyrazine

2-Methyl-6-(propan-2-yl)pyrazine

2-METHYL-6-ISOPROPYLPYRAZINE

SCHEMBL1162069

DTXSID60566970

QSLRSJBWLFFNIS-UHFFFAOYSA-N

AKOS006370976

Microorganism:

Yes

IUPAC name

2-methyl-6-propan-2-ylpyrazine

SMILES

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

Inchi

InChI=1S/C8H12N2/c1-6(2)8-5-9-4-7(3)10-8/h4-6H,1-3H3

Formula

C₈H₁₂N₂

PubChem ID

15014537

Molweight

136.19

LogP

1.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds heterocyclic compounds pyrazines nitrogen compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Dickschat et al. 2005_6

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2-(2-methylpropyl)-5-propan-2-ylpyrazine

Compound Details

Synonymous names

68290-70-0

2-Isobutyl-5-isopropylpyrazine

2-Isopropyl-5-isobutylpyrazine

2-(2-methylpropyl)-5-propan-2-ylpyrazine

SCHEMBL14580444

DTXSID80508099

CHEBI:215256

UHVOUUJPLVBJAV-UHFFFAOYSA-N

DB-289024

2-(2-Methylpropyl)-5-(propan-2-yl)pyrazine

Pyrazine, 2-(1-methylethyl)-5-(2-methylpropyl)-

Microorganism:

Yes

IUPAC name

2-(2-methylpropyl)-5-propan-2-ylpyrazine

SMILES

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

Inchi

InChI=1S/C11H18N2/c1-8(2)5-10-6-13-11(7-12-10)9(3)4/h6-9H,5H2,1-4H3

Formula

C₁₁H₁₈N₂

PubChem ID

12722503

Molweight

178.27

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds heterocyclic compounds pyrazines nitrogen compounds

CHEBI-ID

215256

Supernatural-ID

SN0370871

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no

2,6-di(propan-2-yl)pyrazine

Compound Details

Synonymous names

2,6-diisopropylpyrazine

222048-85-3

SCHEMBL1106488

NYAIYYVTRTULIS-UHFFFAOYSA-N

Pyrazine, 2,6-bis(1-methylethyl)-

AKOS006373683

DB-289035

Microorganism:

Yes

IUPAC name

2,6-di(propan-2-yl)pyrazine

SMILES

CC(C)C1=CN=CC(=N1)C(C)C

Inchi

InChI=1S/C10H16N2/c1-7(2)9-5-11-6-10(12-9)8(3)4/h5-8H,1-4H3

Formula

C₁₀H₁₆N₂

PubChem ID

21037377

Molweight

164.25

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Chondromyces Crocatus	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2-methyl-5-(2-methylpropyl)pyrazine

Compound Details

Synonymous names

2-Methyl-5-isobutylpyrazine

29461-05-0

SCHEMBL10182085

DTXSID80555205

IZEBGMNIMQBAJR-UHFFFAOYSA-N

2-Methyl-5-(2-methylpropyl)pyrazine

Microorganism:

Yes

IUPAC name

2-methyl-5-(2-methylpropyl)pyrazine

SMILES

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

Inchi

InChI=1S/C9H14N2/c1-7(2)4-9-6-10-8(3)5-11-9/h5-7H,4H2,1-3H3

Formula

C₉H₁₄N₂

PubChem ID

14061124

Molweight

150.22

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2,5-bis(2-methylpropyl)pyrazine

Compound Details

Synonymous names

2,5-Diisobutylpyrazine

2,5-bis(2-methylpropyl)pyrazine

2,5-Diisobutyl-pyrazine

65032-04-4

SCHEMBL6466753

DTXSID60508097

CHEBI:225759

AKOS006373981

InChI=1/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H

Microorganism:

Yes

IUPAC name

2,5-bis(2-methylpropyl)pyrazine

SMILES

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

Inchi

InChI=1S/C12H20N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h7-10H,5-6H2,1-4H3

Formula

C₁₂H₂₀N₂

PubChem ID

12722500

Molweight

192.3

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

CHEBI-ID

225759

Supernatural-ID

SN0418978

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2,5-di(propan-2-yl)pyrazine

Compound Details

Synonymous names

2,5-diisopropylpyrazine

24294-83-5

2,5-di(propan-2-yl)pyrazine

2,5-Diisopropyl-pyrazine

2,5-bis(propan-2-yl)pyrazine

SCHEMBL5950443

CHEBI:199215

LXJYUERPFWUCNN-UHFFFAOYSA-N

AKOS006370977

AB93060

CS-0449966

InChI=1/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H

Microorganism:

Yes

IUPAC name

2,5-di(propan-2-yl)pyrazine

SMILES

CC(C)C1=CN=C(C=N1)C(C)C

Inchi

InChI=1S/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H3

Formula

C₁₀H₁₆N₂

PubChem ID

11491990

Molweight

164.25

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

CHEBI-ID

199215

Supernatural-ID

SN0218015

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Sphingopyxis Litoris		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Algihabitans Albus		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Chondromyces Crocatus	Is an attractant of Carpophilus beetles.	NA	Schulz et al. 2004
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Paenibacillus Polymyxa	This compound is an attractant of the pineapple beetle Carpophilus humeralis.	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	This compound is an attractant of the pineapple beetle Carpophilus humeralis.	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Sphingopyxis Litoris	marine broth agar	OSSA/GC-MS	no
Prokaryota	Algihabitans Albus	marine broth agar	OSSA/GC-MS	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2,6-bis(2-methylpropyl)pyrazine

Compound Details

Synonymous names

2,6-Bis(2-methylpropyl)pyrazine

2,6-Diisobutylpyrazine

Pyrazine, 2,6-bis(2-methylpropyl)-

595605-20-2

2,6-Diisobutylpyrazine #

SCHEMBL2718827

WEKSWAFOTVHVQR-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

2,6-bis(2-methylpropyl)pyrazine

SMILES

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

Inchi

InChI=1S/C12H20N2/c1-9(2)5-11-7-13-8-12(14-11)6-10(3)4/h7-10H,5-6H2,1-4H3

Formula

C₁₂H₂₀N₂

PubChem ID

591525

Molweight

192.3

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

2-(2-methylpropyl)-3-propan-2-ylpyrazine

Compound Details

Synonymous names

2-(2-Methylpropyl)-3-(1-methylethyl)pyrazine

SCHEMBL9953172

2-Isobutyl-3-isopropylpyrazine #

IYJJYDZIDFEECJ-UHFFFAOYSA-N

2-(2-methylpropyl)-3-(1-methylethyl)-pyrazine

Microorganism:

Yes

IUPAC name

2-(2-methylpropyl)-3-propan-2-ylpyrazine

SMILES

CC(C)CC1=NC=CN=C1C(C)C

Inchi

InChI=1S/C11H18N2/c1-8(2)7-10-11(9(3)4)13-6-5-12-10/h5-6,8-9H,7H2,1-4H3

Formula

C₁₁H₁₈N₂

PubChem ID

585737

Molweight

178.27

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian FE supp.	SPME/GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	no

2,5-dimethyl-3-(2-methylpropyl)pyrazine

Mass-Spectra

Compound Details

Synonymous names

2,5-dimethyl-3-(2-methylpropyl)pyrazine

32736-94-0

2,5-Dimethyl-3-isobutylpyrazine

Pyrazine, 2,5-dimethyl-3-(2-methylpropyl)-

Pyrazine, 3-isobutyl-2,5-dimethyl-

2-Isobutyl-3,6-dimethyl-pyrazine

2,5-Dimethyl-6-isobutylpyrazine

FEMA No. 4100, 3,6-dimethyl-

UNII-17J126RD59

3-(2-Methylpropyl)-2,5-dimethylpyrazine

17J126RD59

3-Isobutyl-2,5-dimethylpyrazine

SCHEMBL3458549

3,6-Dimethyl-2-isobutylpyrazine

DTXSID30186407

CHEBI:207389

KEJOEQXAEQCAKT-UHFFFAOYSA-N

DB-116488

NS00113883

Q27251914

Microorganism:

Yes

IUPAC name

2,5-dimethyl-3-(2-methylpropyl)pyrazine

SMILES

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

Inchi

InChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3

Formula

C₁₀H₁₆N₂

PubChem ID

520585

Molweight

164.25

LogP

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds heterocyclic compounds pyrazines

CHEBI-ID

207389

Supernatural-ID

SN0183371

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Sulfitobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Sulfitobacter Pontiacus	n/a	NA	Dickschat et al. 2005_6
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Dickschat et al. 2005_6

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Sulfitobacter Sp.	n/a	n/a	no
Prokaryota	Sulfitobacter Pontiacus	n/a	n/a	no
Prokaryota	Paenibacillus Polymyxa	n/a	n/a	no

Results for: Species: Paenibacillus polymyxa Signature

Benzaldehyde

Compound Details

mVOC Specific Details

2-methyl-5-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2-methyl-3-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2-(2-methylpropyl)pyrazine

Compound Details

mVOC Specific Details

2,3-diethyl-5-methylpyrazine

Compound Details

mVOC Specific Details

2-but-1-en-2-yl-5-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2-pentylfuran

Compound Details

mVOC Specific Details

2,6-ditert-butyl-4-methylphenol

Compound Details

mVOC Specific Details

2,3,5-trimethylphenol

Compound Details

mVOC Specific Details

2-methoxy-4-methyl-1-propan-2-ylbenzene

Compound Details

mVOC Specific Details

2-methyl-6-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2-(2-methylpropyl)-5-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2,6-di(propan-2-yl)pyrazine

Compound Details

mVOC Specific Details

2-methyl-5-(2-methylpropyl)pyrazine

Compound Details

mVOC Specific Details

2,5-bis(2-methylpropyl)pyrazine

Compound Details

mVOC Specific Details

2,5-di(propan-2-yl)pyrazine

Compound Details

mVOC Specific Details

2,6-bis(2-methylpropyl)pyrazine

Compound Details

mVOC Specific Details

2-(2-methylpropyl)-3-propan-2-ylpyrazine

Compound Details

mVOC Specific Details

2,5-dimethyl-3-(2-methylpropyl)pyrazine

Compound Details

mVOC Specific Details

Results for:
Species: Paenibacillus polymyxa

Signature