Results for:
Species: Laccaria bicolor

Signature

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Mass-Spectra

Compound Details

Synonymous names

CALAMENENE

cis-Calamenene

483-77-2

72937-55-4

(+/-)-Cadina-1,3,5-triene

Calamenene, cis-(+/-)-

5C6W67N6XM

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-

R8O22WBF8L

UNII-5C6W67N6XM

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

(-)-Calamenene

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4R)-rel-

(Z)-calamenene

1-S-cis-Calamenene

Cadina-1,3,5-triene

1S-CIS-CALAMENENE

UNII-R8O22WBF8L

CALAMENENE, (-)-

(1S,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

CALAMENENE, CIS-(-)-

IT SHOULD BE NOTED THAT cis-calamenene is eluted late vs trans-calamenene

DTXSID40880702

CHEBI:218611

PGTJIOWQJWHTJJ-STQMWFEESA-N

DTXSID501042907

(-)-CADINA-1,3,5-TRIENE

NS00095902

Q63398612

(1S-cis)-1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene

1,2,3,4-tetrahydro-1,6-dimethyl-4(1-methylethyl)-(1s-cis)-naphthalene

Rel-(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)NAPHTHALENE

naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4- (1-methylethyl)-, (1S-cis)-

NAPHTHALENE, 1,6-DIMETHYL-4-(1-METHYLETHYL)-1,2,3,4-TETRAHYDRO-, (1S-Z)-

Microorganism:

Yes

IUPAC name

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

SMILES

CC1CCC(C2=C1C=CC(=C2)C)C(C)C

Inchi

InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1

Formula

C₁₅H₂₂

PubChem ID

6429077

Molweight

202.33

LogP

5.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids terpenes

CHEBI-ID

218611

Supernatural-ID

SN0284979-04

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010688

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum		NA	Yang 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	Streptomyces Griseus		NA	Riu et al. 2022
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	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Streptomyces Caviscabies	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Eukaryota	Phoma Sp.	n/a	NA	Strobel et al. 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	ginkgo biloba kernel juice	triple quadrupole 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	Streptomyces Griseus	TSA media	SPME/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	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Streptomyces Caviscabies	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Phoma Sp.	n/a	Solid phase microextraction (SPME)	no

1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

Mass-Spectra

Compound Details

Synonymous names

(+)-Cuparene

Cuparene

16982-00-6

(R)-Cuparene

(R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene

1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

Cuparene, (+)-

56324-31-3

(R)-(+)-p-(1,2,2-Trimethylcyclopentyl)toluene

24IR5X2B93

Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-

UNII-24IR5X2B93

EINECS 241-061-5

1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene #

(R)-1-(p-Tolyl)-1,2,2-trimethylcyclopentane

DTXSID70168762

CHEBI:167407

MFCD00043118

AKOS015914036

LMPR0103140001

SB46933

TS-10159

NS00021037

J-010581

(+)-Cuparene, >=99.0% (sum of enantiomers, GC)

Q27253858

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (theta)-

BENZENE, 1-METHYL-4-(1,2,2-TRIMETHYLCYCLOPENTYL)-, (.THETA.)-

Microorganism:

IUPAC name

1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

SMILES

CC1=CC=C(C=C1)C2(CCCC2(C)C)C

Inchi

InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1

Formula

C₁₅H₂₂

PubChem ID

86895

Molweight

202.33

LogP

5.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds benzenoids terpenes

CHEBI-ID

167407

Supernatural-ID

SN0348755-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
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	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	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	Ganoderma Lucidum	na	GC/MS	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

Octane

Mass-Spectra

Compound Details

Synonymous names

octane

n-octane

111-65-9

Oktan

Oktanen

Ottani

n-Oktan

Oktanen [Dutch]

Oktan [Polish]

Ottani [Italian]

HSDB 108

UNII-X1RV0B2FJV

X1RV0B2FJV

NSC 9822

EINECS 203-892-1

DTXSID0026882

CHEBI:17590

AI3-28789

NSC-9822

MFCD00009556

DTXCID406882

CH3-[CH2]6-CH3

EC 203-892-1

Heptane, methyl-

Octane, all isomers

CH3-(CH2)6-CH3

octano

Normal octane

normal-Octane

octan

Octanes

Octil

MG8

OTTANE

OCTANE [INCI]

N-OCTANE [HSDB]

OCTANE [MI]

bmse000480

Octane, analytical standard

WLN: 8H

Octane, anhydrous, >=99%

Octane, reagent grade, 98%

n-C8H18

Octane, p.a., 99.0%

CHEMBL134886

NSC9822

Octane; NSC 9822; n-Octane

Tox21_202452

c0044

LMFA11000002

AKOS015904009

MCULE-3248084959

NCGC00249228-01

NCGC00260001-01

CAS-111-65-9

LS-13532

NS00006444

O0022

O0118

O0151

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

C01387

Q150681

J-002613

F0001-0244

EEE64B73-0375-4303-AFD5-0795361807FF

InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H

Octane, electronic grade, >=99.999% metals basis, >=99% (CP)

31372-91-5

9065-92-3

Microorganism:

Yes

IUPAC name

octane

SMILES

CCCCCCCC

Inchi

InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

Formula

C₈H₁₈

PubChem ID

356

Molweight

114.23

LogP

3.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkanes aliphatics aliphatic compounds saturated unsaturated hydrocarbons

CHEBI-ID

17590

Supernatural-ID

SN0361143

mVOC Specific Details

Boiling Point

Degree	Reference
125.62 °C peer reviewed

Volatilization

The Henry's Law constant for n-octane is estimated as 3.2 atm-cu m/mole(SRC) derived from its vapor pressure, 14.1 mm Hg(1), and water solubility, 0.66 mg/L(2). This Henry's Law constant indicates that n-octane 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 3 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 4.2 days(SRC). Volatilization from water surfaces may be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 11 months if adsorption is considered(4). However, in a study using a jet fuel mixture and sterile freshwater controls from the Escambia River (Florida), a 99% loss of n-octane was attributed to evaporation at 25 deg C(5). n-Octane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The disappearance of n-octane was rapid in soil/water mixture (concentration of soil, 25 g/150 mL)(6); an initial concentration of 0.177 ug/mL n-octane disappeared completely in 5 days using a sterile sandy loam soil with an organic matter content of 5.1%(6). The potential for volatilization of n-octane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Houston, TX: Gulf Pub Co. 3: 78 (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 536 (2003) (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) (5) Spain JC et al; Degrad of Jet Fuel Hydrocarbons by Aquatic Microbial Communities. Tyndall AFB, FL: Air Force Eng Serv Ctr. AFESC/ESL-TR-83-26 (NTIS AD-A139791/8) p 226 (1983) (6) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

Soil Adsorption

The Koc of n-octane is estimated as 3.1X10+4(SRC), using a log Kow of 5.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-octane is expected to be immobile in soil. Freundlich absorption coefficients of log 4.04 and log 3.49 were measured in Oberlausitz lignite (11.1% moisture content; 53.5 wt% carbon content; 0.6 wt % nitrogen content) and Pahokee peat soil (10.2% moisture content; 46.1 wt% carbon content; 3.3 wt % nitrogen content), respectively(4). Gaseous transport of volatile n-octane in unsaturated porous media was shown to be influenced by air-water interfacial adsorption and water-partitioning(5). Sorption of n-octane from air to snow was measured, resulting in a sorption coefficient of log -4.41 cu m/sq m at -6.8 deg C(6).
Literature: (1) Miller MM et al; Environ Sci Technol 19:522-9 (1985) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Oct 30, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Endo S et al; Environ Sci Technol 42): 5897-5903 (2008) (5) Kim H et al; Environ Sci Technol 35: 4457-62 (2001) (6) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

Vapor Pressure

Pressure	Reference
14.1 mm Hg at 25 deg C	Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co, p. 78 (1994)

MS-Links

MS-MS Spectrum 5333 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 5335 - CI-B (FINNIGAN-MAT 4500) Positive

MS-MS Spectrum 1598 - Quattro_QQQ 10V N/A delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 1600 - Quattro_QQQ 40V N/A delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 1599 - Quattro_QQQ 25V N/A delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5332 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 5334 - EI-B (HITACHI M-80B) Positive

1D-NMR-Links

1D NMR Spectrum 2154 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 1714 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2841 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004695

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005323

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006873

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012139

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Bovis	NA	NA	Küntzel et al. 2018
Prokaryota	Pseudomonas Aeruginosa	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pseudomonas Sp.	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Bacillus Sp.	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Brevibacillus Agri	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Aneurinibacillus Aneurinilyticus	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Arthrobacter Nicotinovorans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Erwinia Persicina		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pantoea Vagans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Serratia Liquefaciens	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Prokaryota	Streptococcus Mutans	as a biomarker for a breath test for detection of caries	NA	Hertel et al. 2016
Prokaryota	Propionibacterium Acidifaciens	as a biomarker for a breath test for detection of caries	NA	Hertel et al. 2016
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	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Paecilomyces Variotii	na	compost, soils, food products	Sunesson et al. 1995
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
	Fusarium Graminearum			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Bovis	HEYM	NTD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	SPME/GC-MS	no
Prokaryota	Bacillus Sp.	LB media	SPME/GC-MS	no
Prokaryota	Brevibacillus Agri	LB media	SPME/GC-MS	no
Prokaryota	Aneurinibacillus Aneurinilyticus	LB media	SPME/GC-MS	no
Prokaryota	Arthrobacter Nicotinovorans	LB media	SPME/GC-MS	no
Prokaryota	Erwinia Persicina	LB media	SPME/GC-MS	no
Prokaryota	Pantoea Vagans	LB media	SPME/GC-MS	no
Prokaryota	Serratia Liquefaciens	LB media	SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Prokaryota	Streptococcus Mutans	Brain-Heart-Infusion agar	Tenax-trap/GC-MS	no
Prokaryota	Propionibacterium Acidifaciens	Brain-Heart-Infusion agar	Tenax-trap/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	Trichoderma Viride	Malt extract/Low medium	GC/MS	no
Eukaryota	Trichoderma Pseudokoningii	Malt extract/Low medium	GC/MS	no
Eukaryota	Paecilomyces Variotii	DG18,MEA	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	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Compound Details

Synonymous names

Nerolidol (natural)

Peruviol

Stirrup

(Z)-Nerolidol

(+)-Nerolidol

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-

DTXSID3022247

UNII-89V5Z0JC8J

UNII-QR6IP857S6

trans nerolidol

Methylvinylhomogeranyl carbinol

FEMA No. 2772

CCRIS 7678

(E)-nerolidol

EINECS 205-540-2

EINECS 230-597-5

NSC 60598

EPA Pesticide Chemical Code 128910

NSC 406963

BRN 1724135

AI3-10519

EC 230-597-5

3-01-00-02042 (Beilstein Handbook Reference)

CHEBI:7524

DTXCID602247

QR6IP857S6

FEMA 2772

Humbertiol?

(+/-)-Nerolidol

Spectrum_001222

SpecPlus_000303

Spectrum2_001507

Spectrum3_001539

Spectrum4_001720

KBioGR_002080

KBioSS_001702

DivK1c_006399

SPBio_001553

FCI-119B

CHEMBL3182436

NEROLIDOL, (+/-)-

KBio1_001343

KBio2_001702

KBio2_004270

KBio2_006838

KBio3_002458

MCULE-1929267041

( inverted exclamation markA)-Nerolidol

NCGC00344526-01

DB-070076

NS00075673

3-Hydroxy-3,7,11-trimethyl-1,6,10-dodectriene

Nerolidol (Mixture of cis and trans, Stablized with a-tocopherol)

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-; Nerolidol (6CI); 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (+/-)-Nerolidol; FCI 119b; Nerodilol

Microorganism:

Yes

IUPAC name

3,7,11-trimethyldodeca-1,6,10-trien-3-ol

SMILES

CC(=CCCC(=CCCC(C)(C=C)O)C)C

Inchi

InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3

Formula

C₁₅H₂₆O

PubChem ID

8888

Molweight

222.37

LogP

4.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

7524

Supernatural-ID

SN0092999

mVOC Specific Details

Boiling Point

Degree	Reference
114 median

Massbank-Links

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS087601

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS087602

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS087603

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS087604

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT108760

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans	NA	NA	Martins et al. 2007
Eukaryota	Candida Dubliniensis	NA	NA	Martins et al. 2007
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Eukaryota	Trichoderma Harzianum	n/a	NA	Zhang et al. 2014
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	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	RPMI	SPME/GC-MS	no
Eukaryota	Candida Dubliniensis	RPMI	SPME/GC-MS	no
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Eukaryota	Trichoderma Harzianum	Minimal media	SPME/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	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

Compound Details

Synonymous names

Methyl dihydrojasmonate

24851-98-7

Hedione

methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

Kharismal

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester

Methyl (3-oxo-2-pentylcyclopentyl)acetate

FEMA No. 3408

Methyl (2-pentyl-3-oxocyclopentyl)acetate

128087-96-7

DIHYDROJASMONIC ACID, METHYL ESTER

3GW44CIE3Y

Methyl 3-oxo-2-pentyl-cyclopentaneacetate

DTXSID2029325

Methyl 3-oxo-2-pentylcyclopentaneacetate

DTXCID109325

CAS-24851-98-7

EINECS 246-495-9

Dihydrojasmonic acid methyl

UNII-3GW44CIE3Y

Jessamona

Methyl?Dihydrojasmonate

Spectrum_001583

Methyl2-(3-oxo-2-pentylcyclopentyl)acetate

Spectrum2_000558

Spectrum3_001924

Spectrum4_001758

Spectrum5_000616

EC 246-495-9

BSPBio_003524

KBioGR_002236

KBioSS_002063

MLS002696002

SCHEMBL113649

SPECTRUM1504910

2-Amylcyclopentan-1-one-3-acetic Acid Methyl Ester

SPBio_000635

CHEMBL1530328

KBio2_002063

KBio2_004631

KBio2_007199

KBio3_002748

CHEBI:195265

HMS1617K17

AMY15376

HY-N7084

METHYL DIHYDROJASMONATE [MI]

METHYLDIHYDROJASMONATE [INCI]

Tox21_202172

Tox21_303588

BBL009815

CCG-38726

FD7202

s5139

STK072613

METHYL DIHYDROJASMONATE [FHFI]

AKOS001683947

CS-W014206

DS-6422

MCULE-7597345136

SDCCGMLS-0066789.P001

methyl 3-oxo-2-pentylcyclopentylacetate

methyl 2-pentyl-3-oxo-cyclopentylacetate

NCGC00095846-01

NCGC00095846-02

NCGC00095846-03

NCGC00257324-01

NCGC00259721-01

SMR000387079

METHYL DIHYDROJASMONATE (SYNTHETIC)

DB-049906

D1431

EU-0083698

Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate

NS00004102

UNM000000712401

Methyl Dihydrojasmonate (cis- and trans- mixture)

Methyl Dihydrojasmonate(mixture of cis and trans)

SR-05000002474

SR-05000002474-1

W-107278

3-oxo-2-pentyl-cyclopentane-acetic acid methyl ester

2-(3-OXO-2-(PENTAN-1-YL)CYCLOPENTYL)ACETIC ACID METHYL ESTER

MDJ

Microorganism:

IUPAC name

methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

SMILES

CCCCCC1C(CCC1=O)CC(=O)OC

Inchi

InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3

Formula

C₁₃H₂₂O₃

PubChem ID

102861

Molweight

226.31

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters ketones

CHEBI-ID

195265

Supernatural-ID

SN0196863

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006001

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS089001

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT208903

Massbank Spectrum MSBNK-RIKEN-PR100827

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Cenococcum Geophilum	n/a	NA	Mueller et al. 2013
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Cenococcum Geophilum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

3-hydroxybutan-2-one

Mass-Spectra

Compound Details

Synonymous names

acetoin

3-hydroxy-2-butanone

513-86-0

3-hydroxybutan-2-one

acetylmethylcarbinol

Dimethylketol

Acetyl methyl carbinol

2-Butanone, 3-hydroxy-

2,3-Butanolone

2-Hydroxy-3-butanone

1-Hydroxyethyl methyl ketone

Methanol, acetylmethyl-

Acetoin (natural)

gamma-Hydroxy-beta-oxobutane

3-hydroxyl-2-butanone

FEMA No. 2008

CCRIS 2918

HSDB 974

.gamma.-Hydroxy-.beta.-oxobutane

DL-Acetoin

NSC 7609

2-Acetoin

2-Butanol-3-one

AI3-03314

(+/-)-Acetoin

2-hydroxy-3-oxobutane

BG4D34CO2H

51555-24-9

DTXSID0024399

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

NSC-7609

MFCD00004521

Acethoin

Butan-2-ol-3-one

EINECS 208-174-1

UN2621

UNII-BG4D34CO2H

1-Hydroxethyl methyl ketone

acetoine

BRN 0385636

acetylmethyl-

beta-oxobutane

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

b-oxobutane

Acetoin dimer

3-Oxo-2-butanol

ACETOIN MONOMER

DI-METHYLKETOL

Methanol, acetylmethyl

3-hydroxy-2-oxobutane

2-butanone, 3-hydroxy

3-hydroxy-butan-2-one

ACETOIN (DIMER)

Acetoin (~90%)

ACETOIN [FHFI]

ACETOIN [HSDB]

3-hydroxy-butane-2-one

ACETOIN [MI]

ACETOIN (MONOMER)

Acetoin, analytical standard

Butan-2-one, 3-hydroxy-

Acetoin, >=96%, natural

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

BUTAN-2-0L-3-ONE

DTXCID304399

ACETOIN (DIMER) [FCC]

CHEMBL3561873

CHEBI:15688

ACETOIN (MONOMER) [FCC]

NSC7609

Acetoin, natural, >=95%, FG

ACETOIN(MAY INCLUDE DIMER)

Acetoin, >=96%, FCC, FG

(S)-3-HYDROXY-2-BUTANONE

NSC89727

Tox21_302518

LMFA12000020

NSC-89727

AKOS000121293

AKOS017278202

MCULE-5374414264

UN 2621

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

Acetoin, May exist as crystalline dimer

Acetoin (may exist as crystalline dimer)

NCGC00256914-01

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

CAS-513-86-0

PD124062

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

DB-003392

H0225

NS00011932

EN300-21639

C00466

D93492

Q223083

Q-200581

Acetyl methyl carbinol [UN2621] [Flammable liquid]

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

F0001-1338

Microorganism:

Yes

IUPAC name

3-hydroxybutan-2-one

SMILES

CC(C(=O)C)O

Inchi

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

Formula

C₄H₈O₂

PubChem ID

179

Molweight

88.11

LogP

-0.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols ketones

CHEBI-ID

15688

Supernatural-ID

SN0331260

mVOC Specific Details

Boiling Point

Degree	Reference
148 °C peer reviewed

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

MS-MS Spectrum 13740

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

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

MS-MS Spectrum 7069

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

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

1D-NMR-Links

1D NMR Spectrum 4163

1D NMR Spectrum 3890

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

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009143

Species emitting the compound

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

Method

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

1-chloro-4-(trifluoromethyl)benzene

Mass-Spectra

Compound Details

Synonymous names

4-Chlorobenzotrifluoride

98-56-6

p-Chlorobenzotrifluoride

1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE

Benzene, 1-chloro-4-(trifluoromethyl)-

para-Chlorobenzotrifluoride

(p-Chlorophenyl)trifluoromethane

p-Chlorotrifluoromethylbenzene

1-(Trifluoromethyl)-4-chlorobenzene

p-Trifluoromethylphenyl chloride

4-Chloro-alpha,alpha,alpha-trifluorotoluene

p-(Trifluoromethyl)chlorobenzene

p-Chloro-a,a,a-trifluorotoluene

p-Chloro-alpha,alpha,alpha-trifluorotoluene

PARACHLOROBENZOTRIFLUORIDE

4-chloro-benzotrifluoride

NSC 10309

MFCD00000627

1219804-33-7

PCBTF

P-(TRIFLUOROMETHYL) CHLOROBENZENE

694YO34JHC

DTXSID7024821

NSC-10309

4-CHLORO-A,A,A-TRIFLUOROTOLUENE-D4

4-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

DTXCID004821

Toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

4-Chloro-a,a,a-trifluorotoluene

CAS-98-56-6

4-trifluoromethylchlorobenzene

CCRIS 720

para-Chlorotrifluoromethylbenzene

HSDB 4251

EINECS 202-681-1

BRN 0510203

UNII-694YO34JHC

alpha,alpha,alpha-Trifluoro-4-chlorotoluene

(4-chlorophenyl)trifluoromethane

para-Chloro-alpha,alpha,alpha-trifluorotoluene

Toluene, p-chloro-alpha,alpha,alpha-trifluoro-

4-(TRIFLUOROMETHYL)CHLOROBENZENE

4-Chlorobenzotrifuoride

4-chlorobenzo-trifluoride

EC 202-681-1

SCHEMBL196588

4-chloro trifluoromethylbenzene

4-trifluoromethyl chlorobenzene

4-Chlorobenzotrifluoride, 98%

CHEMBL1797001

1-chloro-4-trifluoromethylbenzene

1-trifluoromethyl-4-chlorobenzene

chloro-4-(trifluoromethyl)benzene

CHLOROBENZOTRIFLUORIDE, P-

BCP24446

NSC10309

Tox21_201445

Tox21_303261

P-CHLOROBENZOTRIFLUORIDE [MI]

STL268887

AKOS005067495

AM87507

NCGC00091724-01

NCGC00091724-02

NCGC00091724-03

NCGC00257114-01

NCGC00258996-01

AC-10097

4-Chloro-.alpha.,.alpha.-trifluorotoluene

p-Chloro-.alpha.,.alpha.-trifluorotoluene

NS00002149

EN300-20053

G77196

p-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

Q410670

1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE [HSDB]

W-100075

CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 4-

(p-Chlorophenyl)trifluoromethane;4-Chlorobenzyltrifluoride;

N-(2,4-dimethylphenyl)-3-hydroxy-naphthalene-2-carboxamide

InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4

1-Chloro-4-(trifluoromethyl)benzene, 4-Chloro-alpha,alpha,alpha-trifluorotoluene

1-chloro-4-(trifluoromethyl)benzene; 4-Chloro-alpha,alpha,alpha-trifluorotoluene; (p-Chlorophenyl)trifluoromethane; p-Chlorotrifluoromethylbenzene; p-(Trifluoro

Microorganism:

IUPAC name

1-chloro-4-(trifluoromethyl)benzene

SMILES

C1=CC(=CC=C1C(F)(F)F)Cl

Inchi

InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

Formula

C₇H₄ClF₃

PubChem ID

7394

Molweight

180.55

LogP

3.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids halogenated compounds

Supernatural-ID

SN0315522

mVOC Specific Details

Boiling Point

Degree	Reference
139.3 °C peer reviewed

Volatilization

The Henry's Law constant for 1-chloro-4-(trifluoromethyl)benzene is estimated as 3.5X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-chloro-4-(trifluoromethyl)benzene 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 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)(2) is estimated as 5 days(SRC). 1-Chloro-4-(trifluoromethyl)benzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Chloro-4-(trifluoromethyl)benzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.63 mm Hg(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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Vol. 3 New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-chloro-4-(trifluoromethyl)benzene can be estimated to be 1600(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-chloro-4-(trifluoromethyl)benzene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Sept 20, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
7.63 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.

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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

1-methoxy-3,5-dimethylbenzene

Mass-Spectra

Compound Details

Synonymous names

3,5-Dimethylanisole

874-63-5

1-Methoxy-3,5-dimethylbenzene

Benzene, 1-methoxy-3,5-dimethyl-

5-Methoxy-m-xylene

MFCD00008398

GP3L97PZB8

NSC-406910

1-methoxy-3,5-dimethyl-benzene

3,5-dimethylanisol

EINECS 212-865-3

NSC406910

3,5-Dimethylanizole

AI3-11303

Anisole, 3,5-dimethyl

UNII-GP3L97PZB8

NCIOpen2_003733

SCHEMBL145855

5-Methoxy-1,3-dimethylbenzene

SCHEMBL13322156

3,5-Dimethylanisole, >=99%

3,5-Dimethylphenyl methyl ether

JCHJBEZBHANKGA-UHFFFAOYSA-

DTXSID40236326

1-Methoxy-3,5-dimethylbenzene #

AMY12543

AKOS008948118

MCULE-9665748643

NSC 406910

PS-6237

1-Methoxy-3 pound not5-dimethylbenzene

SY018960

DB-031939

CS-0146244

D2441

NS00039195

EN300-86201

A842223

W-104021

Z53835780

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

Microorganism:

IUPAC name

1-methoxy-3,5-dimethylbenzene

SMILES

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

Inchi

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

Formula

C₉H₁₂O

PubChem ID

70126

Molweight

136.19

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids ethers aromatic compounds

Supernatural-ID

SN0161627

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

(1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene

Compound Details

Synonymous names

Cadina-1,4-diene

Cadina-1,4-diene, cis

Cadina-1(2),4-diene

JUQGWBAOQUBVFP-OPFPJEHXSA-N

(1S,4S,4aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene

4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene-, [1S-(1.alpha.,4.alpha.,4a.alpha.)]-

Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,4a.alpha.)]-

Microorganism:

Yes

IUPAC name

(1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene

SMILES

CC1CCC(C2C1=CCC(=C2)C)C(C)C

Inchi

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13?,15?/m0/s1

Formula

C₁₅H₂₄

PubChem ID

6427091

Molweight

204.35

LogP

4.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes unsaturated hydrocarbons alkadienes

Supernatural-ID

SN0175727-05

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Caviscabies	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Dickschat et al. 2005_2
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Eukaryota	Laccaria Bicolor	na	na	Ditengou et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Caviscabies	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	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	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Laccaria Bicolor	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes

2-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names

2-METHYL-1-BUTANOL

2-Methylbutan-1-ol

137-32-6

Active amyl alcohol

1-Butanol, 2-methyl-

sec-Butylcarbinol

2-Methylbutanol

DL-2-Methyl-1-butanol

2-Methyl-n-butanol

2-Methylbutyl alcohol

Primary active amyl alcohol

2-Methyl butanol-1

Active primary amyl alcohol

dl-sec-Butyl carbinol

(+/-)-2-Methyl-1-butanol

Methyl-2-butan-1-ol

NSC 8431

34713-94-5

sec-Butyl carbinol

(1)-2-Methylbutan-1-ol

CH3CH2CH(CH3)CH2OH

7VTJ239ASU

L-2-Methyl-1-butanol

DTXSID5027069

CHEBI:48945

NSC-8431

DTXCID107069

(-)-2-methylbutanol

CAS-137-32-6

HSDB 5626

2-Methyl-Butan-1-Ol

EINECS 205-289-9

EINECS 252-163-4

UNII-7VTJ239ASU

BRN 1718810

AI3-24190

CCRIS 8805

D-2-METHYL-1-BUTANOL

2-methyl-butanol

( inverted exclamation markA)-2-Methyl-1-butanol

MFCD00004743

DL-sec-Butylcarbinol

(-)2-methylbutanol

2-methyl 1-butanol

Butanol, 2-methyl-

DL-2-METHYL-1-BUTANOL, PRACT

3-Methyl iso-butanol

(+)-2-methylbutanol

EC 205-289-9

(RS)-2-methyl-1-butanol

2-Methyl-(S)-1-Butanol

4-01-00-01666 (Beilstein Handbook Reference)

2-Methyl-(2S)-1-Butanol

CHEMBL451923

FEMA NO. 3998

2-Methyl-1-butanol, >=99%

NSC8431

2-METHYL-1-BUTANOL [MI]

WLN: Q1Y2 & 1

2-Methyl-(.+/-.)-1-Butanol

2-METHYL-1-BUTANOL [HSDB]

Tox21_201558

Tox21_303200

LMFA05000104

STL185573

2-Methyl-1-butanol, >=99%, FG

AKOS009159118

MCULE-6521026296

2-Methyl-1-butanol, analytical standard

2-METHYL-1-BUTANOL,(+/-)-

NCGC00249069-01

NCGC00256976-01

NCGC00259107-01

2-Methyl-1-butanol, natural, 99%, FG

DB-003288

M0175

NS00010145

(+/-)-2-METHYL-1-BUTANOL [FHFI]

EN300-126214

Q209425

(+/-)-2-Methyl-1-butanol, >=98.0% (GC)

J-510045

F0001-0469

Microorganism:

Yes

IUPAC name

2-methylbutan-1-ol

SMILES

CCC(C)CO

Inchi

InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

Formula

C₅H₁₂O

PubChem ID

8723

Molweight

88.15

LogP

1.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

48945

Supernatural-ID

SN0311840

mVOC Specific Details

Boiling Point

Degree	Reference
128 °C peer reviewed

Volatilization

2-Methyl-1-butanol has an experimentally measured Henry's Law constant of 1.41X10-5 atm-cu m/mole at 25 deg C(1). This value of Henry's Law constant indicates that volatilization from environmental waters is slow, but may be significant from shallow rivers(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 61 hr(2,SRC). Volatilization half-life from an model environmental pond can be estimated to be about 28 days(3,SRC).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-15 to 15-29 (1982) (3) US EPA; EXAMS II Computer Simulation (1987)

Soil Adsorption

Based upon a water solubility of 30,000 mg/l at 25 deg C(1), the Koc for 2-methyl-1-butanol can be estimated to be 15 from a regression-derived equation(2,SRC). Based upon a measured log Kow of 1.29(3), the Koc for 2-methyl-1-butanol can be estimated to be 120 from a regression-derived equation(2,SRC). These BCF values suggest that 2-methyl-1-butanol has high to very high soil mobility(4).
Literature: (1) Barton AFM; Alcohols With Water. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 15 (1984) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill p. 4-9 (1982) (3) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (4) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
3.13 mm Hg at 25 deg C	Daubert TE; Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)

MS-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000279

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005671

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007115

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 Krusei	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Glabrata	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Tropicalis	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Albicans	NA	NA	Hertel et al. 2016a
Prokaryota	Mycobacterium Bovis	NA	NA	McNerney et al. 2012
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	Alternaria Alternata		NA	Weikl et al. 2016
Eukaryota	Fusarium Oxysporum		NA	Weikl et al. 2016
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	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Fonticola	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Stenotrophomonas Maltophilia	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Pantoea Vagans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	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
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Prokaryota	Bacillus Wiedmannii	antifungal activity against Fusarium solani	Environmental Biotechnology Laboratory of CIATEJ, Guadalajara (state of Jalisco), Mexico; isolated in from agricultural soil	Gutiérrez-Santa Ana et al. 2020
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Prokaryota	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
Eukaryota	Trichoderma Viride		NA	Hung 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
Eukaryota	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al. 2006
Eukaryota	Muscodor Albus	n/a	NA	Corcuff et al. 2011
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	Escherichia Coli	n/a	NA	Bunge et al. 2008
Prokaryota	Shigella Flexneri	n/a	NA	Bunge et al. 2008
Prokaryota	Salmonella Enterica	n/a	NA	Bunge et al. 2008
Eukaryota	Candida Tropicalis	n/a	NA	Bunge et al. 2008
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Borchii	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 Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
Eukaryota	Rhizopus Stolonifer	n/a	NA	Meruva et al. 2004
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 Ornatus	n/a	NA	Meruva et al. 2004
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Saccharomyces Cerevisiae	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Fumigatus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Versicolor		compost	Fischer et al. 1999
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Paecilomyces Variotii		compost	Fischer et al. 1999
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Eukaryota	Penicillium Glabrum		compost	Fischer et al. 1999
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Eukaryota	Aureobasidium Pullulans		apples	Davis et al. 2012
Eukaryota	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Prokaryota	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Prokaryota	Enterobacter Cloacae	na	ubiquitary,intestinal	Schöller et al. 1997
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
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	Paecilomyces Variotii	na	compost, soils, food products	Sunesson et al. 1995
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Aureobasidium Pullulans	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al. 2012
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Eukaryota	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Prokaryota	Actinomycetes Sp.	Is weakly active against wood-decaying fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Rhamnosus	na	na	Pogačić et al. 2016
Eukaryota	Tuber Aestivum	na	Tarsul (as normal forest); Daix (man made orchard)	Molinier et al. 2015
Eukaryota	Tuber Mesentericum	None	None	March et al. 2006
Eukaryota	Penicillium Chrysogenum	None	None	Meruva et al. 2004
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017
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
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Saccharomyces Cerevisiae			Qin et al. 2024
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023
	Lactobacillus Plantarum			Zhang et al. 2023
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Stenotrophomonas Rhizophila	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Eukaryota	Candida Krusei	SDA	TD/GC-MS	no
Eukaryota	Candida Glabrata	SDA	TD/GC-MS	no
Eukaryota	Candida Tropicalis	SDA	TD/GC-MS	no
Eukaryota	Candida Albicans	SDA	TD/GC-MS	no
Prokaryota	Mycobacterium Bovis	LG + glycerol	TD/GC-MS and SIFT-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	Alternaria Alternata	Synthetic nutrient	Head-space sorptive extraction, GC-MS	no
Eukaryota	Fusarium Oxysporum	Synthetic nutrient	Head-space sorptive extraction, GC-MS	no
Prokaryota	Pseudomonas Sp.	DYGS media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, Landy media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Fonticola	M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	TYB media	GC-MS	no
Prokaryota	Pantoea Vagans	TYB media	GC-MS	no
Prokaryota	Bacillus Licheniformis	nutrient agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Prokaryota	Bacillus Wiedmannii	LB media	SPME/GC-MS	no
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Prokaryota	Staphylococcus Epidermidis	LB 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
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
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	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Muscodor Albus	n/a	Headspace sampler/GC-MS	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Sp.	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 Murinus	n/a	n/a	no
Prokaryota	Streptomyces Olivaceus	n/a	n/a	no
Prokaryota	Streptomyces Thermoviolaceus	n/a	n/a	no
Prokaryota	Escherichia Coli	n/a	n/a	no
Prokaryota	Shigella Flexneri	n/a	n/a	no
Prokaryota	Salmonella Enterica	n/a	n/a	no
Eukaryota	Candida Tropicalis	n/a	n/a	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Borchii	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 Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-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 Ornatus	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Trichoderma Viride	Malt extract/Low medium	GC/MS	no
Eukaryota	Trichoderma Pseudokoningii	Malt extract/Low medium	GC/MS	no
Eukaryota	Saccharomyces Cerevisiae	YEPDA	GC/MS	no
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Aspergillus Versicolor	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Eukaryota	Aureobasidium Pullulans	Sabouraud dextrose agar	GC-MS	yes
Eukaryota	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Prokaryota	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Prokaryota	Enterobacter Cloacae	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Penicillium Commune	DG18,MEA	GC/MS	no
Eukaryota	Paecilomyces Variotii	DG18,MEA	GC/MS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	yes
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Aureobasidium Pullulans	Sabouraud Dextrose Agar	GC/FID	yes
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Eukaryota	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Eukaryota	Tuber Aestivum	na	SPME-GC/MS	no
Eukaryota	Tuber Mesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	yes
Eukaryota	Rhizoctonia Solani	Potato Dextrose Agar6	Tenax TA / TDGC-MS	yes
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	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
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names

1-OCTEN-3-OL

3391-86-4

Oct-1-en-3-ol

1-Vinylhexanol

Vinyl amyl carbinol

3-Hydroxy-1-octene

Amyl vinyl carbinol

Mushroom alcohol

Pentyl vinyl carbinol

Octen-3-ol

Matsuica alcohol

Vinyl hexanol

Pentylvinylcarbinol

octene-1-ol-3

Oct-1-ene-3-ol

(+/-)-1-octen-3-ol

Matsutake alcohol

1-Okten-3-ol

FEMA No. 2805

n-Oct-1-en-3-ol

NSC 87563

(R)-1-octen-3-ol

WXB511GE38

DTXSID3035214

CHEBI:34118

MFCD00004589

NSC-87563

Amylvinylcarbinol

Morrilol

1-Okten-3-ol [Czech]

1-Octen-3-ol (natural)

Matsutake alcohol [Japanese]

1-Octene-3-ol

dl-1-Octen-3-ol

EINECS 222-226-0

EPA Pesticide Chemical Code 069037

BRN 1744110

UNII-WXB511GE38

Morillol

AI3-28627

CCRIS 8804

Matsuika alcohol

MOGUCHUN

Vinyl pentyl carbinol

(E)-1-octen-3-ol

Flowtron mosquito attractant

SCHEMBL41968

1-Octen-3-ol, 98%

WLN: QY5&1U1

CHEMBL3183573

DTXCID1015214

1-OCTEN-3-OL [FCC]

1-OCTEN-3-OL [FHFI]

1-Octen-3-ol, analytical standard

BCP19092

NSC87563

Tox21_302039

LMFA05000090

LMFA05000712

AKOS009157412

CS-W011126

DS-8600

NCGC00255686-01

1-Octen-3-ol, >=98%, FCC, FG

1-Octen-3-ol, natural, >=95%, FG

PD042153

CAS-3391-86-4

DB-003193

NS00004677

O0159

1-Octen-3-ol stabilized with alpha-tocopherol

4-(Trifluoromethyl)-2-biphenyl-carboxylic acid

D91822

EN300-6981750

A821997

Q161667

Q-100412

Microorganism:

Yes

IUPAC name

oct-1-en-3-ol

SMILES

CCCCCC(C=C)O

Inchi

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

Formula

C₈H₁₆O

PubChem ID

18827

Molweight

128.21

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

34118

Supernatural-ID

SN0398887

mVOC Specific Details

Boiling Point

Degree	Reference
84 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008207

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
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	Lactobacillus Plantarum		NA	Yang et al. 2022
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	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Aspergillus Fischeri		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	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Virens	0	NA	Li et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Trichoderma Virens		NA	Li et al. 2018
Eukaryota	Agaricus Bisporus		culture collection,Mushroom Test and Demonstration Facility (MTDF),Pennsylvania State University Campus	Mau et al. 1992
Eukaryota	Penicillium Glabrum		NA	Schnürer et al. 1999
Eukaryota	Penicillium Verrucosum		NA	Schnürer et al. 1999
Eukaryota	Fusarium Verticillioides		NA	Usseglio et al. 2017
Prokaryota	Paenibacillus Polymyxa		NA	Mülner 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
Eukaryota	Rhizoctonia Solani	directional root growth of Brassica rapa roots	NA	Moisan et al. 2021
Eukaryota	Chaetomium Indicum		NA	Moisan et al. 2021
Eukaryota	Trichoderma Viride		NA	Moisan 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
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
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
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	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Tuber Indicum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Melanosporum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Brumale	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 Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al. 2012
Eukaryota	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Neurospora Sp.	n/a	NA	Pastore et al. 1994
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Aspergillus Niger	n/a	NA	Meruva et al. 2004
Eukaryota	Rhizopus Stolonifer	n/a	NA	Meruva et al. 2004
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Agaricus Bisporus	n/a	NA	Berendsen et al. 2013
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Neurospora Sitophila	n/a	NA	Pastore et al. 1994
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	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
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	Aspergillus Ornatus	n/a	NA	Meruva et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Versicolor		compost	Fischer et al. 1999
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Penicillium Brevicompactum		compost	Fischer et al. 1999
Eukaryota	Coriolus Versicolor		colonized beetle	Guevara et al. 2000
Eukaryota	Ganoderma Adspersum		colonized beetle	Guevara et al. 2000
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Eukaryota	Tricholoma Matsutake		NA	Murahashi S. 1938
Eukaryota	Pleurotus Ostreatus		NA	Beltran-Garcia et al. 1997
Eukaryota	Lentinus Edodes		NA	Zawirksa-Wojtasiak 2004
Eukaryota	Boletus Edulis		NA	Zawirksa-Wojtasiak 2004
Eukaryota	Tuber Indicum		Piedmont northern Italy; Yunnan and Sichuan, China	Splivallo et al. 2007
Eukaryota	Fistulina Hepatica		NA	Wu et al. 2005
Eukaryota	Fomes Fomentarius		NA	Fäldt et al. 1999
Eukaryota	Aspergillus Flavus		Japan Collection of Microorganisms at Riken Bioresource Center	Miyamoto et al. 2014
Eukaryota	Penicillium Sp.		NA	Kaminski et al. 1974
Eukaryota	Fusarium Sp.		NA	Savel’eva et al. 2014
Eukaryota	Verticillium Sp.		NA	Bengtsson et al. 1991
Eukaryota	Trichoderma Sp.		NA	Nemcovic et al. 2008
Eukaryota	Penicillium Polonicum		NA	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus		NA	Polizzi et al. 2012
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Gloeophyllum Odoratum	na	Sachsenwald near Hamburg	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
Eukaryota	Aspergillus Sydowii	na	na	Steiner et al. 2007
Eukaryota	Aspergillus Versicolor	na	na	Steiner et al. 2007
Eukaryota	Penicillium Sp.	n/a	NA	Bjurman et al. 1997
Eukaryota	Tuber Borchii	Aroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinense	na	Splivallo and Ebeler 2015
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Penicillium Chrysogenum	None	None	Meruva et al. 2004
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Eukaryota	Agaricus Bisporus		Sylvan, UK	Combet et al. 2009
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Brettanomyces Bruxellensis	NA	NA	Tran et al. 2022
Eukaryota	Hanseniaspora Valbyensis	NA	NA	Tran et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Loulier et al. 2020
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Microbacterium			Ballot et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian aerated	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	Lactobacillus Plantarum	ginkgo biloba kernel juice	triple quadrupole 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	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	no
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Virens	PDA plate	SPME-GC-MS	no
Eukaryota	Fomes Fomentarius		GC-MS (SIM)	yes
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Virens	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Agaricus Bisporus	traditional horse manure-based compost	GC	yes
Eukaryota	Penicillium Glabrum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Verrucosum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Fusarium Verticillioides	Czapek-dox agar	SPME, GC-MS	yes
Prokaryota	Paenibacillus Polymyxa	TSA media	HS-SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Rhizoctonia Solani	1/5th PDA medium	GC-MS	no
Eukaryota	Chaetomium Indicum	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Eukaryota	Tuber Magnatum		GC-MS-O	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Eukaryota	Aspergillus Flavus	n/a	n/a	no
Eukaryota	Penicillium Aurantiogriseum	n/a	n/a	no
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	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Uncinatum	n/a	SPME-GC-MS	no
Eukaryota	Tuber Borchii	n/a	n/a	no
Eukaryota	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Aspergillus Niger	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Agaricus Bisporus			no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Neurospora Sitophila	Malt extract	Headspace/gas chromatography	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	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	Trichoderma Viride	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	Aspergillus Ornatus	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Aspergillus Versicolor	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Coriolus Versicolor		steam destillation, GC-MS	no
Eukaryota	Ganoderma Adspersum		steam destillation, GC-M	no
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Eukaryota	Tricholoma Matsutake			no
Eukaryota	Pleurotus Ostreatus			no
Eukaryota	Lentinus Edodes			no
Eukaryota	Boletus Edulis			no
Eukaryota	Tuber Indicum		GC-MS	yes
Eukaryota	Fistulina Hepatica		HRGC-MS,; DB5;ZB Wax	no
Eukaryota	Fomes Fomentarius			no
Eukaryota	Aspergillus Flavus	glucose minimal medium	SPME; GC-MS	no
Eukaryota	Penicillium Sp.		gas-liquid chromatography	no
Eukaryota	Fusarium Sp.			no
Eukaryota	Verticillium Sp.			no
Eukaryota	Trichoderma Sp.			no
Eukaryota	Penicillium Polonicum	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS	no
Eukaryota	Aspergillus Ustus	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Gloeophyllum Odoratum	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
Eukaryota	Aspergillus Sydowii	na	GC/MS	no
Eukaryota	Aspergillus Versicolor	na	GC/MS	no
Eukaryota	Penicillium Sp.	n/a	n/a	no
Eukaryota	Tuber Borchii	na	SPME-GC/MS/O); GC-R	yes
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	yes
Eukaryota	Rhizoctonia Solani	Potato Dextrose Agar7	Tenax TA / TDGC-MS	yes
Eukaryota	Agaricus Bisporus	comkposted wheat straw	GC-MS / SPME	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	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Brettanomyces Bruxellensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Hanseniaspora Valbyensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

3-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Isoamyl alcohol

3-Methyl-1-butanol

Isopentyl alcohol

3-Methylbutan-1-ol

123-51-3

Isopentanol

3-Methylbutanol

1-Butanol, 3-methyl-

Isoamylol

Isobutylcarbinol

Iso-amylalkohol

2-Methyl-4-butanol

Isobutyl carbinol

Iso-amyl alcohol

ISOAMYLALCOHOL

Alcool isoamylique

Amylowy alkohol

Isoamyl alkohol

Alcool amilico

Fermentation amyl alcohol

i-Amyl Alcohol

3-Metil-butanolo

isopentan-1-ol

Primary isoamyl alcohol

Isoamyl alcohol (natural)

1-Hydroxy-3-Methylbutane

FEMA No. 2057

FEMA Number 2057

NSC 1029

3-methylbutyl alcohol

MFCD00002934

HSDB 605

Isopentylalkohol

3-Methyl-Butan-1-Ol

Isoamyl alcohol, primary

UNII-DEM9NIT1J4

DEM9NIT1J4

3-methyl-Butanol

EINECS 204-633-5

CCRIS 8806

DTXSID3025469

CHEBI:15837

AI3-15288

Methyl-3-butan-1-ol

NSC-1029

NSC-7905

Butan-1-ol, 3-methyl

Fuseloel

DTXCID705469

Huile de fusel

3-METHYL-BUTAN-(1)-OL

EC 204-633-5

EINECS 229-179-5

Magnesium bis(3-methylbutan-1-olate)

isoamyl-alcohol

WLN: Q2Y1 & 1

Isoamyl alkohol [Czech]

Alcool amilico [Italian]

Amylowy alkohol [Polish]

Iso-amylalkohol [German]

3-METHYL-1-BUTANOL (USP-RS)

3-METHYL-1-BUTANOL [USP-RS]

Alcool isoamylique [French]

3-Metil-butanolo [Italian]

6423-06-9

iso-amylalcohol

isopentylalcohol

3-methylbutanoI

3-methyl butanol

Iso Amyl Alcohol

3-methyl 1-butanol

3-methyl-1 butanol

3-methylbutane-1-ol

Butanol, 3-methyl-

Isoamyl alcohol (primary and secondary)

?3-Methyl-1-butanol

POTATO SPIRIT OIL

3-Methyl-1-butanol, 98%

ISOAMYL ALCOHOL [FCC]

ISOAMYL ALCOHOL [FHFI]

ISOAMYL ALCOHOL [HSDB]

ISOAMYL ALCOHOL [INCI]

ISOPENTYL ALCOHOL [MI]

CHEMBL372396

QSPL 002

Isoamyl alcohol, >=98%, FG

NSC1029

NSC7905

for molecular biology,>99%(GC)

Isoamyl alcohol (3-methyl butanol)

isopentyl alcohol (isoamyl alcohol)

3-Methylbutanol, analytical standard

Tox21_302359

LMFA05000108

STL282718

3-Methyl-1-butanol A.C.S. Reagent

3-Methyl-1-butanol, LR, >=98%

AKOS000118739

DB02296

MCULE-7411270401

3-Methyl-1-butanol, p.a., 99.8%

Isoamyl alcohol, natural, >=98%, FG

3-Methyl-1-butanol, analytical standard

NCGC00255329-01

3-Methyl-1-butanol, anhydrous, >=99%

8013-75-0

CAS-123-51-3

3-Methyl-1-butanol, reagent grade, 98%

3-Methyl-1-butanol, technical grade, 95%

I0289

NS00008204

EN300-19333

3-Methyl-1-butanol, ACS reagent, >=98.5%

3-Methyl-1-butanol, biotech. grade, >=99%

3-Methyl-1-butanol, ReagentPlus(R), >=99%

C07328

3-Methyl-1-butanol, SAJ first grade, >=96.0%

Q223101

3-Methyl-1-butanol, JIS special grade, >=98.0%

F0001-0367

Z104473558

3-Methylbutanol, BioReagent, for molecular biology, >=98.5%

3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)

3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)

InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H

3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard

3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%

Microorganism:

Yes

IUPAC name

3-methylbutan-1-ol

SMILES

CC(C)CCO

Inchi

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

Formula

C₅H₁₂O

PubChem ID

31260

Molweight

88.15

LogP

1.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

15837

Supernatural-ID

SN0285775

mVOC Specific Details

Boiling Point

Degree	Reference
132.5 °C peer reviewed

Volatilization

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)

Soil Adsorption

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)

Vapor Pressure

Pressure	Reference
2.37 mm Hg @ 25 deg C	Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 211

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000277

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001813

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005672

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006844

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Staphylococcus Aureus	NA	NA	Zhu et al. 2010
Prokaryota	Stenotrophomonas Rhizophila	NA	NA	Shestivska et al. 2015
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Shestivska et al. 2015
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Candida Dubliniensis	NA	NA	Martins et al. 2007
Eukaryota	Candida Albicans	NA	NA	Martins et al. 2007
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Klebsiella Pneumoniae	NA	NA	Luo et al. 2023
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Fitzgerald et al. 2021
Prokaryota	Staphylococcus Aureus	NA	NA	Jia et al. 2010
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Eukaryota	Candida Glabrata	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Tropicalis	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Krusei	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Albicans	NA	NA	Hertel et al. 2016a
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Klebsiella Pneumoniae	NA	NA	Zechman et al. 1986
Prokaryota	Klebsiella Pneumoniae	NA	NA	Lawal et al. 2018a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zechman et al. 1986
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	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	NA
Eukaryota	Candida Albicans	NA	NA	Perl et al. 2011
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Klebsiella Pneumoniae	NA	NA	Jünger et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Jünger et al. 2012
Prokaryota	Staphylococcus Aureus	NA	NA	Jünger et al. 2012
Prokaryota	Streptococcus Agalactiae	NA	NA	Jünger et al. 2012
Prokaryota	Streptococcus Pneumoniae	NA	NA	Jünger et al. 2012
Prokaryota	Mycobacterium Bovis	NA	NA	McNerney et al. 2012
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Prokaryota	Pseudomonas Aeruginosa		NA	Lawal 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	Erwinia Amylovora		NA	Cellini et al. 2018
Prokaryota	Klebsiella Pneumoniae		NA	Rees et al. 2017
Prokaryota	Acinetobacter Radioresistens		NA	Timm et al. 2018
Prokaryota	Corynebacterium Xerosis		NA	Timm et al. 2018
Eukaryota	Saccharomyces Cerevisiae		NA	Caballero Ortiz et al. 2018
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Vibrio Parahaemolyticus		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Staphylococcus Aureus		China Center of Industrial Culture collection	Wang et al. 2018
Eukaryota	Aspergillus Kawachii		NA	Dickschat et al. 2018
Eukaryota	Fusarium Oxysporum		onion	Wang et al. 2018
Eukaryota	Fusarium Proliferatum		onion	Wang et al. 2018
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Aureobasidium Pullulans		NA	Contarino et al. 2019
Eukaryota	Metschnikowia Pulcherrima		NA	Contarino et al. 2019
Eukaryota	Saccharomyces Cerevisiae		NA	Contarino et al. 2019
Eukaryota	Wickerhamomyces Anomalus		NA	Contarino et al. 2019
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Fusarium Verticillioides		NA	Usseglio et al. 2017
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	Pseudomonas Aeruginosa	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Bacillus Sp.	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Brevibacillus Agri	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Serratia Liquefaciens	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pseudomonas Palleroniana		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Arthrobacter Nicotinovorans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Erwinia Persicina		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pantoea Vagans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Staphylococcus Epidermidis		DSMZ - Deutsche Sammlung von Mikroorganismen und Zellkulturen	Verhulst et al. 2009
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Fonticola	stimulate growth of Solanum tuberosum	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	Stenotrophomonas Maltophilia	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Staphylococcus Pasteuri	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	fruits of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Arthrobacter Ureafaciens	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Microbacterium Paraoxydans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Pantoea Vagans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Pseudomonas Mediterranea	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	roots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Arthrobacter Phenanthrenivorans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Bacillus Sp.	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	NA	López et al. 2021
Prokaryota	Bacillus Amyloliquefaciens		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	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	Bacillus Pumilus		NA	Mülner et al. 2020
Eukaryota	Fusarium Oxysporum		NA	Moisan et al. 2021
Eukaryota	Chaetomium Indicum		NA	Moisan et al. 2021
Prokaryota	Lysobacter Capsici	antifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minor	NA	Vlassi 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 106	NA	Calvo et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 116	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Aureus		National Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead Hospital	Slade et al. 2022
Prokaryota	Bacillus Wiedmannii	antifungal activity against Fusarium solani	Environmental Biotechnology Laboratory of CIATEJ, Guadalajara (state of Jalisco), Mexico; isolated in from agricultural soil	Gutiérrez-Santa Ana et al. 2020
Prokaryota	Rahnella Aquatilis	antifungal activity on the mycelial growth of Colletotrichum gloeosporioides	isolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of China	Kong et al. 2020
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Bacillus Velezensis		NA	Riu et al. 2022
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Eukaryota	Trichoderma Asperellum	inhibited the mycelial growth of Lasiodiplodia theobromae L26	NA	Sudha et al. 2021
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	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani 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
Eukaryota	Debaryomyces Hansenii	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Blollopis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Sp.	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Capitatum	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Goffeauzyma Gilvescens	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Rhodotorula Mucilaginosa	inhibitory and promoting effects on the growth of different microorganisms	isolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Sporidiobolus Salmonicolor	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cryptococcus Sp.	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	Vishniacozyma Victoriae	inhibitory and promoting effects on the growth of different microorganisms	isolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Mrakia Gelida	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystobasidium Laryngis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Cerasticum arcticum, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Muscodor Crispans		Wild pineapple plant, Ananas ananassoides	Mitchell et al. 2010
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Eukaryota	Muscodor Albus	n/a	NA	Corcuff et al. 2011
Eukaryota	Phoma Sp.	n/a	NA	Strobel 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
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Crutcher et al. 2013
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Eukaryota	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al. 2011
Prokaryota	Legionella Pneumophila	could serve as potential biomarkers to distinguish between viruses and bacteria	NA	Abd El Qader et al. 2015
Eukaryota	Muscodor Albus		rye grains	Corcuff et al. 2011
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Prokaryota	Arthrobacter Agilis	na	rhizosphere of maize plants	Velázquez-Becerra et al. 2011
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Boletus Variegatus	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Neurospora Sp.	n/a	NA	Pastore et al. 1994
Eukaryota	Neurospora Sitophila	n/a	NA	Pastore et al. 1994
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	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
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
Eukaryota	Penicillium Sp.	n/a	NA	Bjurman et al. 1997
Prokaryota	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
Eukaryota	Tuber Indicum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Borchii	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
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	Chromobacterium Violaceum	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	Limnobacter Thiooxidans	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	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 Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Kururiensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sordidicola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Tropica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Eukaryota	Neurospora Sp.	n/a	NA	Pastore et al. 1994
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
Eukaryota	Rhizopus Stolonifer	n/a	NA	Meruva et al. 2004
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	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Eukaryota	Aspergillus Ornatus	n/a	NA	Meruva et al. 2004
Prokaryota	Escherichia Coli	n/a	NA	Tait et al. 2014
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Tait et al. 2014
Prokaryota	Salmonella Enteritidis	n/a	NA	Arnold and Senter 1998
Prokaryota	Listeria Monocytogenes	n/a	NA	Arnold and Senter 1998
Prokaryota	Enterobacter Cloacae	n/a	NA	Arnold and Senter 1998
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Arnold and Senter 1998
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Saccharomyces Cerevisiae	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Prokaryota	Moraxella Catarrhalis		humans, respiratory infections	Abd El Qader et al. 2015
Prokaryota	Haemophilus Influenzae		humans, respiratory infections	Abd El Qader et al. 2015
Prokaryota	Legionella Pneumophila		humans, respiratory infections	Abd El Qader et al. 2015
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Fumigatus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Versicolor		compost	Fischer et al. 1999
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Paecilomyces Variotii		compost	Fischer et al. 1999
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Eukaryota	Penicillium Glabrum		compost	Fischer et al. 1999
Eukaryota	Penicillium Crustosum		compost	Fischer et al. 1999
Prokaryota	Lactobacillus Casei		fermented milk	Gallegos et al. 2017
Prokaryota	Lactobacillus Paracasei		Spanish strain collection CECT	Gallegos et al. 2017
Prokaryota	Lactobacillus Lactis		Spanish strain collection CECT	Gallegos et al. 2017
Eukaryota	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Eukaryota	Hansenula Holstii		whole beetles, beetle guts, loblolly pine	Brand et al. 1977
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Enterobacter Agglomerans		Amherst collection	Epsky et al. 1998
Eukaryota	Penicillium Corymbiferum		NA	Pierce et al. 1991
Eukaryota	Scopulariopsis Brevicaulis		NA	Pierce et al. 1991
Eukaryota	Fusarium Sp.		NA	Pierce et al. 1991
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Prokaryota	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Prokaryota	Enterobacter Cloacae	na	ubiquitary,intestinal	Schöller et al. 1997
Prokaryota	Pseudomonas Perolens	na	sterile fish muscle (Sebastes melanops)	Miller et al. 1973
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
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	Paecilomyces Variotii	na	compost, soils, food products	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Eukaryota	Xylaria Sp.	phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicum	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Aureobasidium Pullulans	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al. 2012
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	Burkholderia Cepacia		Rhizosphere	Blom et al. 2011
Eukaryota	Phoma Sp.	na	na	Naznin et al. 2014
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Eukaryota	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Prokaryota	Actinomycetes Sp.	Is an attractant of the Caribbean fruit fly Anastrepha suspensa.	NA	Schulz and Dickschat 2007
Prokaryota	Proteus Hauseri	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Serratia Odorifera	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Lactobacillus Rhamnosus	na	na	Pogačić et al. 2016
Prokaryota	Bacillus Amyloliquefaciens	na	na	Asari et al. 2016
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Tuber Borchii	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
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	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
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
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Streptococcus Dysgalactiae	n/a	NA	Hettinga et al. 2008
Prokaryota	Coagulase-negative Staphylococci	n/a	NA	Hettinga et al. 2008
Prokaryota	Escherichia Coli		milk of cows	Hettinga et al. 2008
Eukaryota	Chalaropsis Thielavioides		NA	Collins 1960
Prokaryota	Serratia Proteamaculans	na	spoiled meat	Popova et al. 2014
Eukaryota	Tuber Melanosporum	None	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Penicillium Chrysogenum	None	None	Meruva et al. 2004
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Achromobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Serratia Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Almeida et al. 2022
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Hanseniaspora Valbyensis	NA	NA	Tran et al. 2022
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Saccharomyces Cerevisiae			Qin et al. 2024
	Lentinula Edodes			Geng et al. 2024
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023
	Lactobacillus Plantarum			Zhang et al. 2023
	Cyberlindnera Fabianii			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
	Mycobacterium Ulcerans			Chudy et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Staphylococcus Aureus	TSB	SESI-MS	no
Prokaryota	Stenotrophomonas Rhizophila	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	Brian FE supp.	SPME/GC-MS	no
Eukaryota	Candida Dubliniensis	RPMI	SPME/GC-MS	no
Eukaryota	Candida Albicans	RPMI	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	TSB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Eukaryota	Candida Glabrata	SDA	TD/GC-MS	no
Eukaryota	Candida Tropicalis	SDA	TD/GC-MS	no
Eukaryota	Candida Krusei	SDA	TD/GC-MS	no
Eukaryota	Candida Albicans	SDA	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	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	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	trypticase soy agar	TD/GC-MS	no
Eukaryota	Candida Albicans	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Klebsiella Pneumoniae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Pseudomonas Aeruginosa	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Staphylococcus Aureus	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Streptococcus Agalactiae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Streptococcus Pneumoniae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Mycobacterium Bovis	LG + glycerol	TD/GC-MS and SIFT-MS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Levine EMB agar (LEA) (Fluka Analytical, UK)	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	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Prokaryota	Klebsiella Pneumoniae	LB	SPME / GCxGC-TOFMS	no
Prokaryota	Acinetobacter Radioresistens	TSA	SPME, GC-MS	no
Prokaryota	Corynebacterium Xerosis	MOPS glucose+EZ	SPME, GC-MS	no
Prokaryota	Corynebacterium Xerosis	TSA	SPME, GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	medium malt extract agar ± Sucrose	HS-SPME, GC-MS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Vibrio Parahaemolyticus	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Staphylococcus Aureus	Sodium chloride broth	SPME, GC-MS	no
Eukaryota	Aspergillus Kawachii	medium 129	CLSA-GCMS	yes
Eukaryota	Fusarium Oxysporum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Eukaryota	Fusarium Proliferatum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	YPDA	(HS)-SPME/GC-MS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Fusarium Verticillioides	Czapek-dox agar	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, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB media	SPME/GC-MS	no
Prokaryota	Bacillus Sp.	LB media	SPME/GC-MS	no
Prokaryota	Brevibacillus Agri	LB media	SPME/GC-MS	no
Prokaryota	Serratia Liquefaciens	LB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Palleroniana	LB media	SPME/GC-MS	no
Prokaryota	Arthrobacter Nicotinovorans	LB media	SPME/GC-MS	no
Prokaryota	Erwinia Persicina	LB media	SPME/GC-MS	no
Prokaryota	Pantoea Vagans	LB media	SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	blood agar	GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media, M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Serratia Fonticola	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media, M+S (Murashige and Skoog) 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	Stenotrophomonas Maltophilia	TYB media	GC-MS	no
Prokaryota	Staphylococcus Pasteuri	TYB media	GC-MS	no
Prokaryota	Arthrobacter Ureafaciens	TYB media	GC-MS	no
Prokaryota	Microbacterium Paraoxydans	TYB media	GC-MS	no
Prokaryota	Pantoea Vagans	TYB media	GC-MS	no
Prokaryota	Pseudomonas Mediterranea	TYB media	GC-MS	no
Prokaryota	Arthrobacter Phenanthrenivorans	TYB media	GC-MS	no
Prokaryota	Bacillus Sp.	TYB media	GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Velezensis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Licheniformis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Pumilus	nutrient agar	HS-SPME/GC-MS	no
Eukaryota	Fusarium Oxysporum	1/5th PDA medium	GC-MS	no
Eukaryota	Chaetomium Indicum	1/5th PDA medium	GC-MS	no
Prokaryota	Lysobacter Capsici	NA-media	GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Aureus	TS agar/blood agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Wiedmannii	LB media	SPME/GC-MS	no
Prokaryota	Rahnella Aquatilis	LB media	HS-SPME/GC-MS	yes
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI media, LB media, MHB 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
Prokaryota	Bacillus Velezensis	TSA media	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB media, spinach lyssate	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Asperellum		SPME/GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Restricta	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Malassezia Sympodialis	modified Dixon agar	HS-SPME/GC-MS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Eukaryota	Metschnikowia Reukaufii	artificial nectar media	GC-MS	no
Eukaryota	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Blollopis	artificial nectar media	GC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Sp.	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Capitatum	artificial nectar media	GC-MS	no
Eukaryota	Goffeauzyma Gilvescens	artificial nectar media	GC-MS	no
Eukaryota	Rhodotorula Mucilaginosa	artificial nectar media	GC-MS	no
Eukaryota	Sporidiobolus Salmonicolor	artificial nectar media	GC-MS	no
Eukaryota	Cryptococcus Sp.	artificial nectar media	GC-MS	no
Eukaryota	Vishniacozyma Victoriae	artificial nectar media	GC-MS	no
Eukaryota	Mrakia Gelida	artificial nectar media	GC-MS	no
Eukaryota	Cystobasidium Laryngis	artificial nectar media	GC-MS	no
Eukaryota	Muscodor Crispans	potato dextrose agar	SPME-GC-MS	yes
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Eukaryota	Muscodor Albus	n/a	Headspace sampler/GC-MS	no
Eukaryota	Phoma Sp.	n/a	Solid phase microextraction (SPME)	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	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Eukaryota	Phomopsis Sp.	PDA medium	SPME-GC/MS	yes
Prokaryota	Legionella Pneumophila	blood culture	SPME/GC-MS	no
Eukaryota	Muscodor Albus		Headspace sampler/GC-MS	yes
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Prokaryota	Arthrobacter Agilis	LB medium	SPME-GC/MS	no
Eukaryota	Aspergillus Flavus	n/a	n/a	no
Eukaryota	Boletus Variegatus	n/a	n/a	no
Eukaryota	Neurospora Sp.	Malt extract	Headspace/gas chromatography	no
Eukaryota	Neurospora Sitophila	Malt extract	Headspace/gas chromatography	no
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Sp.	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 Murinus	n/a	n/a	no
Prokaryota	Streptomyces Olivaceus	n/a	n/a	no
Prokaryota	Streptomyces Thermoviolaceus	n/a	n/a	no
Eukaryota	Penicillium Aurantiogriseum	n/a	n/a	no
Eukaryota	Penicillium Sp.	n/a	n/a	no
Prokaryota	Serratia Proteamaculans	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Eukaryota	Tuber Borchii	n/a	n/a	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Prokaryota	Bacillus Cereus	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Andropogonis	LB, 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	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 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	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Limnobacter Thiooxidans	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	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 Chlororaphis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	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 and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	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 Anthina	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 Caledonica	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia 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 and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	LB and 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	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Hospita	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	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 Lata	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB, 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 Phytofirmans	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, 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 Sacchari	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sordidicola	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 Terricola	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	LB 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	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 Xenovorans	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
Eukaryota	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-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	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Aspergillus Ornatus	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	no
Prokaryota	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	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	Salmonella Enteritidis		HS-SPME/GC-MS	no
Prokaryota	Listeria Monocytogenes		HS-SPME/GC-MS	no
Prokaryota	Enterobacter Cloacae		HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa		HS-SPME/GC-MS	no
Eukaryota	Trichoderma Viride	Low medium	GC/MS	no
Eukaryota	Trichoderma Pseudokoningii	Malt extract/Low medium	GC/MS	no
Eukaryota	Saccharomyces Cerevisiae	YEPDA	GC/MS	no
Prokaryota	Moraxella Catarrhalis	blood culture medium	SPME-GC-MS	no
Prokaryota	Haemophilus Influenzae	blood culture medium	SPME-GC-MS	no
Prokaryota	Legionella Pneumophila	blood culture medium	SPME-GC-MS	no
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Aspergillus Versicolor	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Lactobacillus Casei	MRS agar	GC-IMS	yes
Prokaryota	Lactobacillus Paracasei	MRS agar	GC-IMS	yes
Prokaryota	Lactobacillus Lactis	MRS agar	GC-IMS	yes
Eukaryota	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Eukaryota	Hansenula Holstii	PYG	GC-MS	no
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Prokaryota	Enterobacter Agglomerans	TSA	capillary GC	no
Eukaryota	Penicillium Corymbiferum		GC-FID	yes
Eukaryota	Scopulariopsis Brevicaulis		GC-FID	yes
Eukaryota	Fusarium Sp.		GC-FID	yes
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Prokaryota	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Prokaryota	Enterobacter Cloacae	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Perolens	Trypticase soil agar (BBL)	GC/MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Staphylococcus Sciuri	869 liquid medium	SPME-GC/MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Penicillium Commune	DG18,MEA	GC/MS	no
Eukaryota	Paecilomyces Variotii	DG18,MEA	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Aureobasidium Pullulans	Sabouraud Dextrose Agar	GC/FID	yes
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Prokaryota	Burkholderia Cepacia	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Eukaryota	Phoma Sp.	na	SPME-GC/MS	no
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Eukaryota	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Proteus Hauseri	LB liquid	SPME-GC/MS	no
Prokaryota	Serratia Odorifera	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Prokaryota	Bacillus Amyloliquefaciens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-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	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Headspace GC/MS	no
Prokaryota	Pseudomonas Putida	TSB	Propak Q adsorbent trap/GC-MS	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Prokaryota	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS	no
Prokaryota	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli		GCMS DSQ	no
Eukaryota	Chalaropsis Thielavioides			no
Prokaryota	Serratia Proteamaculans	LB medium	SPME-GC/MS	no
Eukaryota	Tuber Melanosporum	None	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	yes
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Achromobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Serratia Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Enterobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Escherichia Coli	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
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	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with 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
Eukaryota	Hanseniaspora Valbyensis	sugared green and black tea	HS-SPME-GC/MS	no
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	SPME/GC/MS	no
	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
	Mycobacterium Ulcerans	NA	GCMS–GP2010	no

4,4-dimethylpentan-2-one

Mass-Spectra

Compound Details

Synonymous names

4,4-Dimethyl-2-pentanone

590-50-1

4,4-DIMETHYLPENTAN-2-ONE

2-Pentanone, 4,4-dimethyl-

Methyl neopentyl ketone

Neopentyl methyl ketone

Methyl neoamyl ketone

4,4-dimethyl-pentan-2-one

NSC-944

WT892W449L

EINECS 209-685-2

neo-C5H11COCH3

SCHEMBL104505

UNII-WT892W449L

NSC944

DTXSID4073914

NSC 944

4,4-Dimethyl-2-pentanone, 99%

MFCD00008854

AKOS009156830

AS-44232

DB-053310

CS-0264549

NS00034071

EN300-93150

A832134

Z1171198845

InChI=1/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H

Microorganism:

Yes

IUPAC name

4,4-dimethylpentan-2-one

SMILES

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

Inchi

InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3

Formula

C₇H₁₄O

PubChem ID

11546

Molweight

114.19

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Laccaria Bicolor	na	na	Ditengou et al. 2015
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Laccaria Bicolor	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

Octan-3-one

Mass-Spectra

Compound Details

Synonymous names

3-Octanone

Octan-3-one

106-68-3

Ethyl amyl ketone

Ethyl pentyl ketone

Amyl ethyl ketone

n-Octanone-3

Ethyl n-pentyl ketone

Ethyl n-amyl ketone

3-Oxooctane

3-Octanone (natural)

FEMA No. 2803

Ethyl n-amylketone

n-AMYL ETHYL KETONE

NSC 60161

HSDB 5371

EAK

EINECS 203-423-0

BRN 1700021

CCRIS 8808

DTXSID3041954

CHEBI:80946

AI3-36116

NSC-60161

UNII-79173B4107

OCTANONE, 3-

DTXCID1021954

MFCD00009515

79173B4107

2-Heptanone, methyl-

UN2271

1-ethyl hexanal

3-octanon

octane-3-one

octan-6-one

3-OCTANONE [MI]

3-Octanone, >=98%

SCHEMBL5593

3-OCTANONE [FHFI]

3-OCTANONE [HSDB]

Ethyl amyl ketone [UN2271] [Flammable liquid]

WLN: 5V2

3-Octanone, analytical standard

3-Octanone, >=98%, FG

CHEMBL2269087

FEMA 2803

NSC60161

Tox21_301208

BBL011431

LMFA12000055

STL146538

AKOS005720776

MCULE-2012071553

NCGC00248338-01

NCGC00255105-01

CAS-106-68-3

VS-02948

3-Octanone, natural (US), >=97%, FG

NS00011968

O0122

C17145

EN300-396111

A801482

Ethyl amyl ketone [UN2271] [Flammable liquid]

J-001627

Q18349104

106-68-3(3-octanone); 541-85-5(5-methyl-3-heptanone)

Microorganism:

Yes

IUPAC name

octan-3-one

SMILES

CCCCCC(=O)CC

Inchi

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

Formula

C₈H₁₆O

PubChem ID

246728

Molweight

128.21

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

80946

Supernatural-ID

SN0325489

mVOC Specific Details

Boiling Point

Degree	Reference
167.5 °C peer reviewed

Volatilization

The Henry's Law constant for 3-octanone is estimated as 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(1), and water solubility, 2600 mg/L(1). This Henry's Law constant indicates that 3-octanone 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 11 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 6.8 days(SRC). 3-Octanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-octanone from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (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 3-octanone is estimated as 58(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-octanone is expected to have high mobility in soil.
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (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 mm Hg at 20 deg C	Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976)

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002578

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007037

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Bovis	NA	NA	Küntzel et al. 2018
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Eukaryota	Aspergillus Fumigatus	NA	NA	Bazemore et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Eukaryota	Aspergillus Fumigatus	NA	NA	Perl et al. 2011
Eukaryota	Pythium Oligandrum	N/A	Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.	Sheikh et al. 2023
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	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Virens	0	NA	Li et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Trichoderma Virens		NA	Li et al. 2018
Eukaryota	Fusarium Sporotrichioides		NA	Schnürer et al. 1999
Eukaryota	Penicillium Commune		NA	Schnürer et al. 1999
Prokaryota	Pseudomonas Palleroniana		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Arthrobacter Nicotinovorans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Erwinia Persicina		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pantoea Vagans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Serratia Liquefaciens	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Eukaryota	Rhizoctonia Solani	directional root growth of Brassica rapa roots	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
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
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
Eukaryota	Malassezia Globosa		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
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 Borchii	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 Brumale	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	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al. 2012
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
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	Trichoderma Viride	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	Tuber Indicum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Penicillium Corymbiferum		NA	Pierce et al. 1991
Eukaryota	Scopulariopsis Brevicaulis		NA	Pierce et al. 1991
Eukaryota	Fusarium Sp.		NA	Pierce et al. 1991
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	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
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Eukaryota	Aspergillus Sydowii	na	na	Steiner et al. 2007
Eukaryota	Aspergillus Versicolor	na	na	Steiner et al. 2007
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Periconia Britannica	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Streptomyces Ciscaucasicus	potentially involved in antifungal activity	NA	Cordovez et al. 2015
Eukaryota	Penicillium Chrysogenum		NA	Meruva et al. 2004
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Eukaryota	Agaricus Bisporus		Sylvan, UK	Combet et al. 2009
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Andauensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Ge et al. 2021
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Bovis	HEYM	NTD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	Brian aerated	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Eukaryota	Aspergillus Fumigatus	SDA + Elastin	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
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	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Virens	PDA plate	SPME-GC-MS	no
Eukaryota	Fomes Fomentarius		GC-MS (SIM)	yes
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Virens	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Fusarium Sporotrichioides	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Commune	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Pseudomonas Palleroniana	LB media	SPME/GC-MS	no
Prokaryota	Arthrobacter Nicotinovorans	LB media	SPME/GC-MS	no
Prokaryota	Erwinia Persicina	LB media	SPME/GC-MS	no
Prokaryota	Pantoea Vagans	LB media	SPME/GC-MS	no
Prokaryota	Serratia Liquefaciens	LB media	SPME/GC-MS	no
Eukaryota	Rhizoctonia Solani	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	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	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	n/a	n/a	no
Prokaryota	Serratia Proteamaculans	n/a	n/a	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 Borchii	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 Brumale	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	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Tuber Uncinatum	n/a	SPME-GC-MS	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-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	Trichoderma Viride	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	Tuber Indicum	n/a	n/a	no
Prokaryota	Collimonas Pratensis		Headspace trapping/GC-MS	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Corymbiferum		GC-FID	yes
Eukaryota	Scopulariopsis Brevicaulis		GC-FID	yes
Eukaryota	Fusarium Sp.		GC-FID	yes
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Piptoporus Betulinus	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
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Eukaryota	Aspergillus Sydowii	na	GC/MS	no
Eukaryota	Aspergillus Versicolor	na	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Periconia Britannica	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Prokaryota	Streptomyces Ciscaucasicus	GA-medium	SPME/GC-MS	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	yes
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Eukaryota	Rhizoctonia Solani	Potato Dextrose Agar8	Tenax TA / TDGC-MS	yes
Eukaryota	Agaricus Bisporus	comkposted wheat straw	GC-MS / SPME	yes
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Andauensis	liquid YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	grape juice	LC-15C HPLC	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

Mass-Spectra

Compound Details

Synonymous names

3-Carene

13466-78-9

3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene

Delta-3-Carene

Car-3-ene

Monoterpenes

Carene

(+-)-delta3-Carene

Delta-car-3-ene

(+-)-3-Carene

DELTA3-Carene

Delta(3)-Carene

DTXSID4047462

CHEBI:35661

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-

delta(sup 3)-Carene

DTXCID2027462

74806-04-5

Bicyclo(4.1.0)hept-3-ene, 3,7,7(or 4,7,7)-trimethyl-

EINECS 236-719-3

3,7,7-Trimethylbicyclo[4.1.0]-3-heptene

3,7,7-trimethyl-bicyclo[4.1.0]hept-3-ene

UNII-H2M15SNR6N

BRN 1902766

(1S)-(+)-3-Carene

Bicyclo[4.1.0]hept-3-ene, 3,7,7(or 4,7,7)-trimethyl-

(+)Car-3-ene

.delta. 3-carene

3-.delta.-Carene

.DELTA.-caR-3-ene

EC 236-719-3

2-05-00-00095 (Beilstein Handbook Reference)

4,7,7-Trimethyl-3-norcarene

FEMA NO. 3821

(+/-)-3-CARENE

alpha-Carene

3,7,7-trimethyl bicyclohept-3-ene

4,7,7-trimethylbicyclo[4.1.0]hept-3-ene

3-delta-Carene

carene (delta-3-)

3,7,7(or 4,7,7)-Trimethylbicyclo(4.1.0)hept-3-ene

delta-3-Carene (GC)

3-Carene, 90%

3-Carene, >=90%

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)-

(+/-)-delta3-CARENE

3-Carene, analytical standard

CHEMBL506854

HY-N6663

Tox21_302632

MFCD00001315

s5595

AKOS015840953

CCG-266136

MCULE-2811504753

NCGC00256842-01

AS-80902

CAS-13466-78-9

DB-063033

CS-0083202

NS00001492

E77192

EN300-173315

W-110341

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1R,6S)-rel-

Microorganism:

Yes

IUPAC name

3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

SMILES

CC1=CCC2C(C1)C2(C)C

Inchi

InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

Formula

C₁₀H₁₆

PubChem ID

26049

Molweight

136.23

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

35661

Supernatural-ID

SN0032754

mVOC Specific Details

Boiling Point

Degree	Reference
172 median

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)	Gioacchini et al. 2008
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Fusarium Culmorum	affects swarming and swimming motility of Serratia plymuthica PRI-2C; affects swarming ability of Collimonas pratensis Ter291	sandy dune soil, Netherlands	Schmidt et al. 2015
Eukaryota	Laccaria Bicolor	na	na	Ditengou et al. 2015
Eukaryota	Cenococcum Geophilum	na	na	Ditengou et al. 2015
Eukaryota	Ogataea Pini	na	mycangia of Dendroctonus brevicomis	Davis et al. 2011
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Prokaryota	Streptococcus Mutans	as a biomarker for a breath test for detection of caries	NA	Hertel et al. 2016
Prokaryota	Propionibacterium Acidifaciens	as a biomarker for a breath test for detection of caries	NA	Hertel et al. 2016
Eukaryota	Phytophthora Plurivora	N/A	Phytophthora plurivora	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Eukaryota	Fusarium Culmorum	water agar supplied with artificial root exudates	GC/MS-Q-TOF	no
Eukaryota	Laccaria Bicolor	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes
Eukaryota	Cenococcum Geophilum	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes
Eukaryota	Ogataea Pini	MEA	GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Prokaryota	Streptococcus Mutans	Brain-Heart-Infusion agar	Tenax-trap/GC-MS	no
Prokaryota	Propionibacterium Acidifaciens	Brain-Heart-Infusion agar	Tenax-trap/GC-MS	no
Eukaryota	Phytophthora Plurivora	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Compound Details

Synonymous names

(-)-beta-selinene

BETA-SELINENE

(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

17066-67-0

(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene

(4aS,7S,8aR)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene (5beta,7alpha,10alpha)-eudesma-4(14),11-diene

CHEBI:49274

YOVSPTNQHMDJAG-ZNMIVQPWSA-N

LMPR0103190010

5bH,7b,10a-selina-4(14),11-diene

(5beta,7alpha,10alpha)-eudesma-4(14),11-diene

Q27121583

(4aS,7S,8aR)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene

Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-

Microorganism:

IUPAC name

(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

SMILES

CC(=C)C1CCC2(CCCC(=C)C2C1)C

Inchi

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1

Formula

C₁₅H₂₄

PubChem ID

28237

Molweight

204.35

LogP

5.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

49274

Supernatural-ID

SN0456307-08

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Compound Details

Synonymous names

(-)-gamma-cadinene

GAMMA-CADINENE

1460-97-5

2GHT32E0JU

39029-41-9

(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

gamma-Cadinene, (-)-

(1R,4aS,8aS)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

UNII-2GHT32E0JU

g-Cadinene

D-g-Cadinene

(+)-g-Cadinene

Racemic gamma Cadinene

trans- .gamma.-Cadinene

CHEBI:63203

WRHGORWNJGOVQY-RBSFLKMASA-N

DTXSID301017689

.GAMMA.-CADINENE, (-)-

HY-N9432

CADINENE, .GAMMA.-, (-)-

CS-0167725

NS00126425

C19738

1BETA,6ALPHA,7BETAH-CADINA-4,10(15)-DIENE

Q27132466

1.BETA.,6.ALPHA.,7.BETA.H-CADINA-4,10(15)-DIENE

[1R,(-)]-1,2,3,4,4aalpha,5,6,8abeta-Octahydro-7-methyl-4-methylene-1-isopropylnaphthalene

1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-(1S,4aR,8aR)-Naphthalene

Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1alpha,4abeta,8aalpha)-

Microorganism:

IUPAC name

(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

SMILES

CC1=CC2C(CC1)C(=C)CCC2C(C)C

Inchi

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1

Formula

C₁₅H₂₄

PubChem ID

92313

Molweight

204.35

LogP

4.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

63203

Supernatural-ID

SN0417892-05

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Alternaria Alternata		NA	Weikl et al. 2016
Eukaryota	Trichoderma Hamatum		NA	Guo et al. 2019
Eukaryota	Trichoderma Virens		NA	Guo et al. 2019
Eukaryota	Trichoderma Harzianum		NA	Guo et al. 2019
Eukaryota	Laccaria Bicolor	na	na	Ditengou et al. 2015
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Alternaria Alternata	Synthetic nutrient	Head-space sorptive extraction, GC-MS	no
Eukaryota	Trichoderma Hamatum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Virens	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Harzianum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Laccaria Bicolor	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Compound Details

Synonymous names

(+)-delta-Cadinene

483-76-1

DELTA-CADINENE

(1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene

D-Cadinene

(+)-D-Cadinene

CHEBI:15385

7848KI47OS

(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

.delta.-Cadinene, (+)-

delta-Amorphene

(1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene

(+)-?-Cadinene

UNII-7848KI47OS

(+)-??-Cadinene

(1S,8aR)-delta-cadinene

CADINENE, .DELTA.-

CHEMBL445759

FEMA NO. 4967

(+)-1(10),4-Cadinadiene

DTXSID70858792

MFCD02683434

AKOS016008860

LMPR0103330001

(+)-1S,8aR-Cadina-1(10),4-diene

1ST158489

DB-361881

C3734

NS00094789

C06394

F88000

Q27089406

NAPHTHALENE, DECAHYDRO-1,6-DIMETHYL-4- (1-METHYLETHYL)

(1S,8aR)-1-isopropyl-4,7-di-methyl-1,2,3,5,6,8a-hexahydronaphthalene

1,2,3,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)-(1S,8aR)-Naphthalene

Microorganism:

Yes

IUPAC name

(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

SMILES

CC1=CC2C(CCC(=C2CC1)C)C(C)C

Inchi

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1

Formula

C₁₅H₂₄

PubChem ID

441005

Molweight

204.35

LogP

3.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

15385

Supernatural-ID

SN0095604-05

mVOC Specific Details

MS-Links

MS-MS Spectrum 151713

MS-MS Spectrum 48468

MS-MS Spectrum 151714

MS-MS Spectrum 151715

MS-MS Spectrum 48470

MS-MS Spectrum 48469

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002824

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Hamatum		NA	Guo et al. 2019
Eukaryota	Trichoderma Harzianum		NA	Guo et al. 2019
Eukaryota	Trichoderma Virens		NA	Guo et al. 2019
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
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	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Laccaria Bicolor	na	na	Ditengou et al. 2015
Prokaryota	Streptomyces Citreus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Caviscabies	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Eukaryota	Aspergillus Ustus		NA	Polizzi et al. 2012
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	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Hamatum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Harzianum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Virens	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Laccaria Bicolor	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes
Prokaryota	Streptomyces Citreus	n/a	n/a	no
Prokaryota	Streptomyces Caviscabies	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Aspergillus Ustus	malt extract agar (MEA), wallpaper, plasterboard	SPME/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	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Compound Details

Synonymous names

BETA-SELINENE

(+)-beta-Selinene

beta-Eudesmene

17066-67-0

.beta.-Selinene

CHEBI:10443

Eudesma-4(14),11-diene

[4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene

(4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene

Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-

.beta.-Eudesmene

(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-decahydronaphthalene

(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene

(+)-.beta.-Selinene

b-Selinene, (~90%)

C09723

CHEMBL2287242

YOVSPTNQHMDJAG-QLFBSQMISA-N

DTXSID201020829

7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-

LMPR0103190014

NS00113988

Q27108640

(4AR,7R,8aS)-4a-methyl-1-methylene-7-(prop-1-en-2-yl)decahydronaphthalene

(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene

(4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene

Microorganism:

IUPAC name

(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

SMILES

CC(=C)C1CCC2(CCCC(=C)C2C1)C

Inchi

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1

Formula

C₁₅H₂₄

PubChem ID

442393

Molweight

204.35

LogP

5.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

10443

Supernatural-ID

SN0456307-04

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002853

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010675

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Harzianum		NA	Guo et al. 2019
Eukaryota	Trichoderma Hamatum		NA	Guo et al. 2019
Eukaryota	Trichoderma Virens		NA	Guo et al. 2019
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Eukaryota	Periconia Britannica	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Laccaria Bicolor	na	na	Ditengou et al. 2015
Eukaryota	Phoma Sp.	n/a	NA	Strobel et al. 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Harzianum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Hamatum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Virens	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Eukaryota	Periconia Britannica	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Laccaria Bicolor	modified Pachlewski medium	capillary gas chromatography, GC/MS	yes
Eukaryota	Phoma Sp.	n/a	Solid phase microextraction (SPME)	no

Results for: Species: Laccaria bicolor Signature

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

Compound Details

mVOC Specific Details

1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

Compound Details

mVOC Specific Details

2-pentylfuran

Compound Details

mVOC Specific Details

Octane

Compound Details

mVOC Specific Details

3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Compound Details

mVOC Specific Details

Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

Compound Details

mVOC Specific Details

3-hydroxybutan-2-one

Compound Details

mVOC Specific Details

1-chloro-4-(trifluoromethyl)benzene

Compound Details

mVOC Specific Details

1-methoxy-3,5-dimethylbenzene

Compound Details

mVOC Specific Details

(1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene

Compound Details

mVOC Specific Details

2-methylbutan-1-ol

Compound Details

mVOC Specific Details

Oct-1-en-3-ol

Compound Details

mVOC Specific Details

3-methylbutan-1-ol

Compound Details

mVOC Specific Details

4,4-dimethylpentan-2-one

Compound Details

mVOC Specific Details

Octan-3-one

Compound Details

mVOC Specific Details

3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

Compound Details

mVOC Specific Details

(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Compound Details

mVOC Specific Details

(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Compound Details

mVOC Specific Details

(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Compound Details

mVOC Specific Details

(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Compound Details

mVOC Specific Details

Results for:
Species: Laccaria bicolor

Signature