Results for:
Species: Hypoxylon anthochroum

Signature

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

1-ethenyl-4-methoxybenzene

Mass-Spectra

Compound Details

Synonymous names

4-Methoxystyrene

637-69-4

1-Methoxy-4-vinylbenzene

4-VINYLANISOLE

p-Methoxystyrene

1-ethenyl-4-methoxybenzene

Benzene, 1-ethenyl-4-methoxy-

p-Vinylanisole

Anisole, p-vinyl-

1-methoxy-4-vinyl-benzene

2ISH8T4A6E

MFCD00008619

NSC-42171

NSC-408326

NSC 42171

CCRIS 4381

4-vinylanisol

p-methoxy-styrene

UNII-2ISH8T4A6E

para-methoxystyrene

EINECS 211-298-9

NSC 408326

AI3-05526

4-vinyl anisole

4-vinyl-anisole

4-Vinylanisole, 97%

1-ethenyl-4-methoxy-benzene

SCHEMBL28436

1-Methoxy-4-vinylbenzene #

DTXSID7073222

SCHEMBL12113789

4-toluenesulfonic acid methyl ester

AMY21284

NSC42171

NSC408326

AKOS009156585

CL-0053

CS-W013377

4-Methoxystyrene (stabilized with TBC)

SY012921

A8772

M0130

NS00022602

EN300-60992

D71253

Q-200516

Q27254796

Z957339658

4-Methoxystyrene - stabilized with 0.1% 4-tert-butylcatechol

InChI=1/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H

Microorganism:

IUPAC name

1-ethenyl-4-methoxybenzene

SMILES

COC1=CC=C(C=C1)C=C

Inchi

InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3

Formula

C₉H₁₀O

PubChem ID

12507

Molweight

134.17

LogP

3.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers benzenoids

Supernatural-ID

SN0365051

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

1-methyl-4-prop-1-en-2-ylbenzene

Compound Details

Synonymous names

1195-32-0

1-Methyl-4-(prop-1-en-2-yl)benzene

alpha,p-Dimethylstyrene

4-Isopropenyltoluene

Dehydro-p-cymene

2-P-Tolylpropene

1-Methyl-4-(1-methylethenyl)benzene

p,alpha-Dimethylstyrene

1-Methyl-4-isopropenylbenzene

4-Methylisopropenylbenzene

2-(P-Methylphenyl)propene

p-cymenene

Isopropenyltoluene, p-

p-alpha-Dimethylstyrene

1-Isopropenyl-4-methylbenzene

1-methyl-4-prop-1-en-2-ylbenzene

p-alpha-Dimethyl styrene

Methyl-p-isopropenylbenzene

alpha-Methyl-P-methylstyrene

4-Methyl-alpha-methylstyrene

BENZENE, 1-METHYL-4-(1-METHYLETHENYL)-

FEMA No. 3144

p-Mentha-1,3,5,8-tetraene

NSC 361058

Styrene, p,.alpha.-dimethyl-

p-Isopropenyl toluene

p,.alpha.-Dimethylstyrene

1-methyl-4-prop-1-en-2-yl-benzene

XC8HY3OB86

ghl.PD_Mitscher_leg0.317

Methyl-4-(1-methylethenyl)-benzene

NSC-361058

1-Methyl-4-(1-methylethenyl)-benzene

Styrene, P-alpha-dimethyl-

EINECS 214-795-9

Dimethylstyrene, p-alpha-

UNII-XC8HY3OB86

p-Methyl-alpha-methylstyrene

cymenene

p-isopropenyltoluene

NSC361058

Isopropenyl toluene c

P,alpha-Dimethylstyrol

alpha-p dimethylstyrene

4,alpha-Dimethylstyrene

alpha,4-Dimethylstyrene

alpha-Dimethyl-p-styrene

p,alpha-Dimethyl-Styrene

p-alpha-Dimethyl-Styrene

.alpha.,p-Dimethylstyrene

p,a-Dimethylstyrene, 8CI

.alpha.,4-Dimethylstyrene

P,?-DIMETHYLSTYRENE

Para- alpha-dimethylstyrene

2-(4-Methylphenyl)propene

1-p-Tolyl-1-methylethylene

1-Methyl-4alpha-methylstyrene

para- .alpha.-Dimethylstyrene

p-Methyl-.alpha.-methylstyrene

4-Methyl-.alpha.-methylstyrene

DTXSID7047564

1-methyl-4.alpha.-methylstyrene

CHEBI:89920

FEMA 3144

1-Isopropenyl-4-methylbenzene #

4-CH3C6H4C(CH3)CH2

P-.ALPHA.-DIMETHYL STYRENE

BAA19532

DIMETHYLSTYRENE, P-.ALPHA.-

MFCD00036510

AKOS012525086

STYRENE, P-.ALPHA.-DIMETHYL-

P-.ALPHA.-DIMETHYL STYRENE [FHFI]

1-Methyl-4-(1-methylethenyl)benzene, 9CI

I0693

NS00012338

p,alpha-Dimethylstyrene, >=98%, stabilized

1-METHYL-4-(1-METHYLETHENYL) BENZENE

F17145

A804307

Q27162104

1-Methyl-4-prop-1-en-2-ylbenzene (Stabilized with TBC)

alpha,4-Dimethylstyrene, stabilized with 4-t-butylcatechol

InChI=1/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H

Microorganism:

IUPAC name

1-methyl-4-prop-1-en-2-ylbenzene

SMILES

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

Inchi

InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3

Formula

C₁₀H₁₂

PubChem ID

62385

Molweight

132.2

LogP

3.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds alkylbenzenes benzenoids

CHEBI-ID

89920

Supernatural-ID

SN0229775

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no

1-methyl-3-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names

M-CYMENE

535-77-3

1-Isopropyl-3-methylbenzene

3-Isopropyltoluene

m-Isopropyltoluene

m-Cymol

m-Methylisopropylbenzene

beta-Cymene

1-Methyl-3-isopropylbenzene

Benzene, 1-methyl-3-(1-methylethyl)-

1-Methyl-3-(1-methylethyl)benzene

1-methyl-3-propan-2-ylbenzene

meta-cymene

NSC 73975

HSDB 3428

.beta.-Cymene

EINECS 208-617-9

3-Methyl-1-isopropylbenzene

UNII-10ZH8R921S

BRN 1851357

10ZH8R921S

NSC-73975

CYMENE, M-

1-Methyl-3-(1-methylethyl)-benzene

DTXSID2060206

4-05-00-01058 (Beilstein Handbook Reference)

m-cymene [UN2046] [Flammable liquid]

m-Cymene, 99%

3-Methylisopropylbenzene

m-cymene [UN2046] [Flammable liquid]

M-CYMENE [HSDB]

M-CYMENE [MI]

m-Mentha-1,3,5-triene

m-Cymene, analytical standard

1-Methyl-3-isopropyl benzene

DTXCID9041449

1-methyl-3-(propan-2-yl)benzene

NSC73975

MFCD00008891

1-methyl-3-(1-methylethyl) benzene

AKOS005110997

MCULE-5480201967

1-Methyl-3-(1-methylethyl)benzene, 9CI

C0798

CS-0331846

NS00020834

T71023

Q27251197

Microorganism:

Yes

IUPAC name

1-methyl-3-propan-2-ylbenzene

SMILES

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

Inchi

InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3

Formula

C₁₀H₁₄

PubChem ID

10812

Molweight

134.22

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds alkylbenzenes benzenoids

Supernatural-ID

SN0426791

mVOC Specific Details

Boiling Point

Degree	Reference
175 deg C	Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-334

Volatilization

The Henry's Law constant for m-cymene is estimated as 7.15X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.72 mm Hg(1), and water solubility, 42.5 mg/L(2). This Henry's Law constant indicates that m-cymene 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 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.6 days(SRC). m-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of m-cymene from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989) (2) Lun R et al; J Chem Eng Data 42: 951-53 (1997) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of m-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that m-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 6, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 150035

MS-MS Spectrum 87513

MS-MS Spectrum 150033

MS-MS Spectrum 87515

MS-MS Spectrum 150034

MS-MS Spectrum 87514

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012271

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Prokaryota	Pseudomonas Brassicacearum	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
	Fusarium Graminearum			Ballot et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no
Prokaryota	Pseudomonas Brassicacearum	King's B Agar	SPME-GC/MS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names

2-PHENYLETHANOL

Phenethyl alcohol

Phenylethyl alcohol

60-12-8

Benzeneethanol

Phenylethanol

Benzyl carbinol

Phenethanol

2-Phenylethyl alcohol

2-PHENYL-ETHANOL

beta-Phenylethanol

2-Phenethyl alcohol

Benzylmethanol

2-Phenylethan-1-Ol

Benzylcarbinol

Methanol, benzyl-

2-Hydroxyethylbenzene

1-Phenyl-2-ethanol

Ethanol, 2-phenyl-

FEMA No. 2858

2-PEA

Benzenethanol

Phenethylalcohol

Phenyl ethyl alcohol

beta-PEA

beta-Phenylethyl alcohol

beta-Hydroxyethylbenzene

Caswell No. 655C

beta-Fenylethanol

FEMA Number 2858

1321-27-3

beta-Fenethylalkohol

Phenethyl alcohol (natural)

beta-Phenethyl alcohol

HSDB 5002

2-Phenethanol

.beta.-Hydroxyethylbenzene

.beta.-Phenylethyl alcohol

Hydroxyethylbenzene

EINECS 200-456-2

UNII-ML9LGA7468

MFCD00002886

PhenethylAlcohol-d5

EPA Pesticide Chemical Code 001503

NSC 406252

NSC-406252

BRN 1905732

.beta.-Phenylethanol

ML9LGA7468

.beta.-PEA

DTXSID9026342

CHEBI:49000

AI3-00744

(2-Hydroxyethyl)benzene

.beta.-Phenethyl alcohol

Phenylethyl alcohol [USP]

.beta.-(hydroxyethyl)benzene

DTXCID206342

EC 200-456-2

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

NSC406252

NCGC00166215-02

Phenylethyl alcohol (USP)

Ethanol, phenyl-

PHENYLETHYL ALCOHOL (II)

PHENYLETHYL ALCOHOL [II]

PHENETHYL ALCOHOL (MART.)

PHENETHYL ALCOHOL [MART.]

Phenyl Ethanol(Natural)

2 Phenylethanol

PHENYLETHYL ALCOHOL (USP-RS)

PHENYLETHYL ALCOHOL [USP-RS]

beta-Fenylethanol [Czech]

2-phenyl ethanol

Carbinol, Benzyl

beta Phenylethanol

CAS-60-12-8

Alcohol, Phenethyl

beta-Fenethylalkohol [Czech]

PEL

SMR000059156

PHENYLETHYL ALCOHOL (USP MONOGRAPH)

PHENYLETHYL ALCOHOL [USP MONOGRAPH]

Alcohol, Phenylethyl

benzene-ethanol

Mellol

phenyl-ethanol

Benzyl-Methanol

2-PhenyIethanol

phenylethyl-alcohol

.beta.-Phenethanol

HY1

.beta.-Fenylethanol

b-Hydroxyethylbenzene

Benzyl ethyl alcohol

2-phenyl-1-ethanol

Benzeneethanol, 9CI

2-phenylethane-1-ol

betaphenylethyl alcohol

.beta.-Fenethylalkohol

2-Phenylethanol, USP

METHANOL, BENZYL

A-PEA

beta -hydroxyethylbenzene

2-Phenylethanol, 99%

.beta.-P.E.A.

(BETA-PEA)

Phenylethyl alcohol, USAN

bmse000659

Phenylethyl, beta- alcohol

2-(2-Hydroxyethyl)benzene

SCHEMBL1838

WLN: Q2R

MLS001066349

MLS001336026

FEMA NUMBER 2858.

PHENETHYL ALCOHOL [MI]

Phenethyl alcohol, 8CI, BAN

CHEMBL448500

beta-(HYDROXYETHYL)BENZENE

PHENETHYL ALCOHOL [FCC]

PHENYLETHYL, B- ALCOHOL

PHENETHYL ALCOHOL [INCI]

BDBM85807

FEMA 2858

HMS2093H05

HMS2233H06

HMS3374P04

Pharmakon1600-01505398

PHENYLETHYL ALCOHOL [FHFI]

PHENYLETHYL ALCOHOL [HSDB]

PHENETHYL ALCOHOL [WHO-DD]

BCP32115

CS-B1821

HY-B1290

NSC_6054

Tox21_113544

Tox21_201322

Tox21_303383

BBL036905

NSC759116

s3703

STL281950

2-Phenylethanol, >=99.0% (GC)

AKOS000249688

Tox21_113544_1

CCG-213419

DB02192

MCULE-8439044075

NSC-759116

CAS_60-12-8

Phenethyl alcohol, >=99%, FCC, FG

NCGC00166215-01

NCGC00166215-03

NCGC00166215-05

NCGC00257347-01

NCGC00258874-01

AC-18484

SBI-0206858.P001

NS00004212

P0084

EN300-19347

C05853

D00192

D70868

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

AB00698274_05

A832606

Q209463

SR-01000763553

Phenylethyl alcohol;Phenethyl alcohol;Benzeneethanol

Q-200318

SR-01000763553-2

0DE4CADC-AB8A-4038-BD6F-EBD009885652

F0001-1575

Z104473586

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

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

Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard

Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material

19601-20-8

Microorganism:

Yes

IUPAC name

2-phenylethanol

SMILES

C1=CC=C(C=C1)CCO

Inchi

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

Formula

C₈H₁₀O

PubChem ID

6054

Molweight

122.16

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic alcohols alcohols aromatic compounds benzenoids

CHEBI-ID

49000

Supernatural-ID

SN0418058

mVOC Specific Details

Boiling Point

Degree	Reference
218.2 °C peer reviewed

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000994

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001564

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006570

Species emitting the compound

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

Method

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

(1Z,3Z,6Z)-cycloocta-1,3,6-triene

Compound Details

Synonymous names

1,3,6-Cyclooctatriene

cycloocta-1,3,6-triene

3725-30-2

(1Z,3Z,6Z)-cycloocta-1,3,6-triene

1,4,6-Cyclooctatriene

A4MP3YY9QN

(1Z,3Z,6Z)-1,3,6-Cyclooctatriene

1,3,6-Cyclooctatriene, (1Z,3Z,6Z)-

114811-56-2

UNII-A4MP3YY9QN

CHEBI:37892

LHNSMWDERKGLJK-DKPWQKSPSA-N

Microorganism:

IUPAC name

(1Z,3Z,6Z)-cycloocta-1,3,6-triene

SMILES

C1C=CCC=CC=C1

Inchi

InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-4,7-8H,5-6H2/b3-1-,4-2-,8-7-

Formula

C₈H₁₀

PubChem ID

5367250

Molweight

106.16

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

cycloalkenes unsaturated hydrocarbons

CHEBI-ID

37892

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes

1-prop-1-ynylcyclohexene

Compound Details

Synonymous names

Cyclohexene, 1-(1-propynyl)-

1-prop-1-ynylcyclohexene

1655-05-6

1-(1-Cyclohexenyl)-1-propyne

1-(1-propynyl)cyclohexene

DTXSID50341990

1-(1-Propynyl)-1-cyclohexene #

Microorganism:

IUPAC name

1-prop-1-ynylcyclohexene

SMILES

CC#CC1=CCCCC1

Inchi

InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h7H,3-5,8H2,1H3

Formula

C₉H₁₂

PubChem ID

577619

Molweight

120.19

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkynes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes

(4E,6E)-2,6-dimethylocta-2,4,6-triene

Mass-Spectra

Compound Details

Synonymous names

Alloocimene

2,6-Dimethyl-2,4,6-octatriene

673-84-7

ALLO-OCIMENE

3016-19-1

(4E,6E)-Alloocimene

(4E,6E)-2,6-dimethylocta-2,4,6-triene

trans,trans-Alloocimene

(4E,6E)-Allocimene

(E,E)-2,6-Dimethyl-2,4,6-octatriene

2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-

2,4,6-Octatriene, 2,6-dimethyl-

2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-

trans-Alloocimene

Alloocimene, (4E,6E)-

(E,E)-2,6-Dimethylocta-2,4,6-triene

6TF53L340E

2,6-Dimethyl-2,4E,6E-octatriene

DTXCID50196508

Allocymene

OCIMENE, ALLO

CAS-673-84-7

EINECS 211-614-5

EINECS 221-153-1

DTXSID4027288

NSC 406263

UNII-6TF53L340E

AI3-00737

Alloocimene I

NSC406263

ocimene (allo-)

Z-Neo-allo-ocimene

(4E,6Z)-2,6-Dimethyl-2,4,6-octatriene

(4E,6Z)-2,6-dimethylocta-2,4,6-triene

(E,E)-allo-ocimene

ALLOOCIMENE A

trans,trans-allo-ocimene

UNII-J9D0BS5BZN

(4E,6E)-allo-ocimene

J9D0BS5BZN

(E,E)-ALLOOCIMENE

OCIMENE, A110

4-trans-6-trans-alloocimene

CHEMBL2268552

CHEBI:90064

DTXSID00883936

CHEBI:141222

Tox21_202278

Tox21_303244

BBL027750

LMFA11000042

STL146333

AKOS005720971

AKOS040744565

NSC-406263

NCGC00249203-01

NCGC00257015-01

NCGC00259827-01

VS-08587

2,6-Dimethyl-octa-2,4,6-triene, trans

2,6-Octatriene, 2,6-dimethyl- (VAN8C

2,6-dimethyl-octa-2,4trans,6trans-triene

2,4,6-Octatriene, 2,6-dimethyl- (VAN)

D1277

NS00013050

2,6-Dimethyl-2,4,6-octatriene, mixture of isomers

W-109590

W-109849

Q15628365

2,6-Dimethyl-2,4,6-octatriene, technical grade, 80%

Microorganism:

IUPAC name

(4E,6E)-2,6-dimethylocta-2,4,6-triene

SMILES

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

Inchi

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+

Formula

C₁₀H₁₆

PubChem ID

5368821

Molweight

136.23

LogP

4.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

CHEBI-ID

141222

Supernatural-ID

SN0112929-04

mVOC Specific Details

MS-Links

MS-MS Spectrum 102670

MS-MS Spectrum 168534

MS-MS Spectrum 102669

MS-MS Spectrum 168535

MS-MS Spectrum 102671

MS-MS Spectrum 168536

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Mass-Spectra

Compound Details

Synonymous names

Eucalyptol

cineole

1,8-Cineole

470-82-6

1,8-Cineol

Cajeputol

1,8-Epoxy-p-menthane

Eucalyptole

Eucapur

Zineol

Terpan

p-Cineole

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane

1,8-Oxido-p-menthane

Eukalyptol

CINEOL

Cucalyptol

Soledum

8000-48-4

p-Menthane, 1,8-epoxy-

Eukalyptol [Czech]

Eucalyptol (natural)

FEMA No. 2465

2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-

Cineole (VAN)

Eucaly

NCI-C56575

NSC-6171

2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-

1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane

2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane

NSC6171

NSC 6171

RV6J6604TK

DTXSID4020616

CHEBI:27961

2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane

MFCD00167977

DTXCID60616

CNL

4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

Eucalyptol [USAN]

NCGC00091666-01

NCGC00091666-04

EUCALYPTOL (II)

EUCALYPTOL [II]

CINEOLE (MART.)

CINEOLE [MART.]

EUCALYPTOL (USP-RS)

EUCALYPTOL [USP-RS]

CINEOLE (EP MONOGRAPH)

CINEOLE [EP MONOGRAPH]

(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

EUCALYPTOL (USP IMPURITY)

EUCALYPTOL [USP IMPURITY]

EUCALYPTOL (USP MONOGRAPH)

EUCALYPTOL [USP MONOGRAPH]

Eucalyptol 1000 ug/mL in Methanol

UNII-RV6J6604TK

CAS-470-82-6

SMR000471853

1,8 Cineole

CCRIS 3727

HSDB 991

Cineole (Eucalyptol)

1,8 Cineol

1,8 Epoxy p menthane

Eucalyptol [USAN:USP]

EINECS 207-431-5

cineoles

Rosatra

Terpane

Cyneol

BIDD:ER0481

AI3-00578

2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane

Eucalyptol,(S)

Germ Free ARIA

Eucalyptol (USP)

1.8-cineole

1_8_cineole

Eucalyptol, 99%

Eucalyptol, Ph Helv

p-Menthane,8-epoxy-

1,8-Oxido-p-methane

EUCALYPTOL [MI]

WLN: T66 A B AOTJ B1 B1 F1

CINEOLE [INCI]

EUCALYPTOL [FCC]

Spectrum2_000221

Spectrum3_000683

Spectrum4_001747

Spectrum5_000704

EUCALYPTOL [FHFI]

EUCALYPTOL [HPUS]

EUCALYPTOL [HSDB]

EUCALYPTOL [INCI]

CINEOLE [WHO-DD]

EUCALYPTOL [VANDF]

bmse000523

EC 207-431-5

SCHEMBL19622

SCHEMBL41020

BSPBio_002405

KBioGR_002194

MLS001050089

MLS001066338

DivK1c_000333

SPECTRUM1500294

SPBio_000261

Eucalyptol, analytical standard

CHEMBL485259

GTPL2464

CHEMBL1231862

CHEMBL1397305

SCHEMBL13554591

SCHEMBL17836873

SCHEMBL23876132

CHEBI:23243

HMS501A15

KBio1_000333

KBio3_001625

NINDS_000333

P-METHANE, 1,8-EPOXY-

HMS2271P04

Pharmakon1600-01500294

HY-N0066

Tox21_111161

Tox21_202090

Tox21_302902

BDBM50459887

CCG-36080

NSC760388

AKOS015903223

AKOS016034339

AKOS037514637

Tox21_111161_1

CCG-266254

CS-8146

DB03852

LMPR0102090019

NSC-760388

Eucalyptol 1000 microg/mL in Methanol

IDI1_000333

Eucalyptol, tested according to Ph.Eur.

NCGC00091666-02

NCGC00091666-03

NCGC00091666-05

NCGC00095774-01

NCGC00178671-01

NCGC00256479-01

NCGC00259639-01

NCGC00389703-01

AC-20234

Eucalyptol, natural, >=99%, FCC, FG

LS-13868

NCI60_005108

1,3-Trimethyl-2-oxabicyclo[2.2.2]octane

2-Oxa-1,3-trimethylbicyclo[2.2.2]octane

DB-070775

2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-

NS00002794

Rosatra Synergyfor treatment of Acne Rosacea

C09844

D04115

AB01563262_01

Q161572

SR-01000763816

SR-01000763816-2

W-106080

1,8-Cineole, primary pharmaceutical reference standard

1,3,3-TRIMETHYL-2-OXABICYCLO(2.2.2.)OCTANE

Cineole, European Pharmacopoeia (EP) Reference Standard

Eucalyptol, certified reference material, TraceCERT(R)

F0001-1260

Eucalyptol, United States Pharmacopeia (USP) Reference Standard

Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H

Microorganism:

Yes

IUPAC name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

SMILES

CC1(C2CCC(O1)(CC2)C)C

Inchi

InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

Formula

C₁₀H₁₈O

PubChem ID

2758

Molweight

154.25

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ethers terpenes

CHEBI-ID

27961

Supernatural-ID

SN0407877

mVOC Specific Details

Boiling Point

Degree	Reference
176 °C peer reviewed

Volatilization

The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 13 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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)

Vapor Pressure

Pressure	Reference
1.90 mm Hg at 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. 307

MS-Links

MS-MS Spectrum 2392 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2393 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2391 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Hypoxylon Anthochroum		NA	Shaw et al. 2015
Eukaryota	Gloeophyllum Odoratum		NA	Kahlos et al. 1994
Eukaryota	Fistulina Hepatica		NA	Wu et al. 2005
Eukaryota	Fusarium Fujikuroi		NA	Brock et al. 2011
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	yes
Eukaryota	Hypoxylon Anthochroum			no
Eukaryota	Gloeophyllum Odoratum			no
Eukaryota	Fistulina Hepatica			no
Eukaryota	Fusarium Fujikuroi			no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no

2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

Mass-Spectra

Compound Details

Synonymous names

Sabinene hydrate

4-Thujanol

546-79-2

5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol

2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

(Z)-Sabinene hydrate

FEMA No. 3239

Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-

Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-

cis-Sabinenhydrate

Sabinene hydrate, cis

4-Thujanol (natural)

2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol

cis-Sabinenehydrate

Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; 4-Thujanol (6CI,7CI,8CI); 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; Sabinene hydrate

cis-Sabinene hydrate (cis for IP vs Me)

EINECS 208-911-7

Sabinene hydrate trans (trans for IP vs. OH)

trans-Sabinene hydrate (trans for IP vs. OH)

4-Thujanol 100 microg/mL in Acetonitrile

sabinene hydrate (cis-)

(1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol

SCHEMBL438844

CHEBI:16377

DTXSID40862164

(1.alpha.,2.beta.,5.alpha.)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol

5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol-, (1.alpha.,2.beta.,5.alpha.)-

DB-052630

NS00013239

Q27101876

Microorganism:

Yes

IUPAC name

2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

SMILES

CC(C)C12CCC(C1C2)(C)O

Inchi

InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3

Formula

C₁₀H₁₈O

PubChem ID

62367

Molweight

154.25

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

16377

Supernatural-ID

SN0198243

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

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

Mass-Spectra

Compound Details

Synonymous names

alpha-TERPINEOL

Terpineol

98-55-5

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

p-Menth-1-en-8-ol

8000-41-7

dl-alpha-Terpineol

1-p-Menthen-8-ol

Terpenol

Terpineol 350

1-Menthene-8-ol

Terpineol schlechthin

CARVOMENTHENOL

TERPINEOLS

.alpha.-Terpineol

Terpilenol, alpha-

8006-39-1

FEMA No. 3045

FEMA Number 3045

alpha-Terpineol (natural)

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

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

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

ALFA-TERPINEOL

alpha-Terpinenol

CCRIS 3204

HSDB 5316

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

EINECS 202-680-6

EINECS 219-448-5

NSC 21449

PC 593

UNII-21334LVV8W

BRN 1906604

DTXSID5026625

CHEBI:22469

AI3-00275

21334LVV8W

MFCD00001557

NSC-21449

NSC-403665

DTXCID406625

MIL-350

1-alpha-terpineol

EC 202-680-6

PC-593

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

NCGC00164431-01

DSSTox_CID_6625

alpha-TERPINEOL (PROPYL METHYL-D3)

68797-63-7

DSSTox_RID_79596

DSSTox_GSID_40775

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

Terpene alcohol

alpha-Terpineol, analytical standard

Menth-1-en-8-ol

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

CAS-8000-41-7

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

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

Caswell No. 823

TERPIN MONOHYDRATE IMPURITY A (EP IMPURITY)

TERPIN MONOHYDRATE IMPURITY A [EP IMPURITY]

UNII-R53Q4ZWC99

-terpineol

Alfa_terpineol

MFCD00075926

alpha -Terpineol

DL a-terpineol

alphaTERPINEOL

Menthen-8-ol

203633-12-9

EINECS 232-268-1

EPA Pesticide Chemical Code 067005

1-p-Menthen-8-

.ALPHA.TERPINEOL

TERPINEOL, ALPHA

(+)-.alpha.-Terpineol

alpha-TERPINEOL (II)

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

EC 232-268-1

alpha-Terpineol, AldrichCPR

SCHEMBL28466

ALPHA-TERPINEOL [FCC]

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

ALPHA-TERPINEOL [HSDB]

CHEMBL449810

R53Q4ZWC99

.ALPHA.-TERPINEOL [II]

.ALPHA.-TERPINEOL [MI]

ALFA-TERPINEOL [WHO-DD]

>80.0%(GC,sum of isomers)

.ALPHA.-TERPINEOL [FHFI]

HY-N5142

NSC21449

Tox21_112118

Tox21_200112

Tox21_302298

c0669

MFCD00166983

NSC403665

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

AKOS015840815

alpha-Terpineol, 90%, technical grade

MCULE-9798755896

SB45068

CAS-98-55-5

USEPA/OPP Pesticide Code: 067003

NCGC00248528-01

NCGC00255464-01

NCGC00257666-01

SY117295

alpha-Terpineol 1000 microg/mL in Acetone

DB-059206

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

CS-0032554

NS00002240

T0022

T0984

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

D70165

EN300-125883

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

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

SR-01000944873

J-500272

SR-01000944873-1

W-100076

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

Q27109437

F0001-2319

Flavor and Extract Manufacturers' Association No. 3045

Z1255427148

alpha-Terpineol, primary pharmaceutical reference standard

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

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

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

22347-88-2

Microorganism:

Yes

IUPAC name

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

SMILES

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

Inchi

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

Formula

C₁₀H₁₈O

PubChem ID

17100

Molweight

154.25

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

22469

Supernatural-ID

SN0420414

mVOC Specific Details

Boiling Point

Degree	Reference
218 °C peer reviewed

Volatilization

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

Solubility

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

Soil Adsorption

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

Vapor Pressure

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

Species emitting the compound

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

Method

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

1,2,4-trimethylidenecyclohexane

Compound Details

Synonymous names

1,2,4-trimethylidenecyclohexane

1,2,4-Trimethylenecyclohexane

1,2,4-Tris(methylene)cyclohexane

14296-81-2

2XFV25Y5N6

Cyclohexane, 1,2,4-tris(methylene)-

UNII-2XFV25Y5N6

1,2,4-Trimethyl-Cyclohexane

1,2,4-Trimethylenecyclohexane #

DTXSID101308020

1,2,4-Tri(methylidene)cyclohexane

1,2,4-tris(methylene)-cyclohexane

1,2,4-Trimethyl-trans,cis-Cyclohexane

Cyclohexane, 1,2,4-trimethyl- (8CI)(9CI)

1,2,4-Trimethyl-(1R,2R,4R)-rel-Cyclohexane

1,2,4-Trimethyl-(1alpha,2beta,4beta)-Cyclohexane

Microorganism:

IUPAC name

1,2,4-trimethylidenecyclohexane

SMILES

C=C1CCC(=C)C(=C)C1

Inchi

InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2

Formula

C₉H₁₂

PubChem ID

570705

Molweight

120.19

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

cycloalkanes saturated hydrocarbons

CHEBI-ID

231273

Supernatural-ID

SN0009242

mVOC Specific Details

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no

2-phenylbutanedioic Acid

Compound Details

Synonymous names

Phenylsuccinic acid

635-51-8

dl-Phenylsuccinic acid

2-phenylbutanedioic acid

2-Phenylsuccinic acid

Phenyl succinic acid

Butanedioic acid, phenyl-

10424-29-0

2-Phenylsuccinate

Succinic acid, phenyl-

Phenylsuccinate

Phenylsuccinicacid

MFCD00004256

.alpha.-Phenylsuccinic acid

Butanedioic acid, 2-phenyl-

(S)-2-Phenylsuccinicacid

2-Phenyl-succinic acid

alpha-Phenylsuccinic acid

(+/-)-Phenylsuccinic acid

MFCD00065929

EINECS 211-238-1

Phenyl-succinic acid

NSC 11342

NSC 16635

AI3-23845

2-phenyl-butanedioic acid

Racemic phenylsuccinic acid

Phenylsuccinic acid, 98%

CHEMBL76085

SCHEMBL146867

DTXSID60883518

NSC11342

NSC16635

EINECS 223-719-3

MFCD02179706

NSC-11342

NSC-16635

AKOS000120433

AKOS016842483

CS-W015746

NCGC00334258-01

AC-10389

AS-14727

SY012920

SY060989

SY101159

DB-049576

DB-051366

DB-073343

DB-371686

NS00041995

P0155

EN300-20525

A13276

C22494

AB01141076-03

A800937

A834412

AD-232/25000151

W-104903

F2191-0207

Z104478578

Microorganism:

IUPAC name

2-phenylbutanedioic acid

SMILES

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

Inchi

InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)

Formula

C₁₀H₁₀O₄

PubChem ID

95459

Molweight

194.18

LogP

0.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids carboxylic acids

CHEBI-ID

151044

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes

1-methyl-4-propan-2-ylcyclohexa-1,4-diene

Mass-Spectra

Compound Details

Synonymous names

GAMMA-TERPINENE

99-85-4

p-Mentha-1,4-diene

Crithmene

Moslene

gamma-Terpinen

1,4-p-Menthadiene

4-Isopropyl-1-methyl-1,4-cyclohexadiene

.gamma.-Terpinen

TERPINENE, ALPHA

.gamma.-Terpinene

1-methyl-4-propan-2-ylcyclohexa-1,4-diene

1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

1-Isopropyl-4-methyl-1,4-cyclohexadiene

1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene

FEMA No. 3559

gamma-Terpinene (natural)

1-Methyl-4-isopropylcyclohexadiene-1,4

1-isopropyl-4-methylcyclohexa-1,4-diene

NSC 21448

1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene

UNII-4YGF4PQP49

1,4-Cyclohexadiene, 1-methyl-4-isopropyl-

EINECS 202-794-6

4YGF4PQP49

1-Methyl-4-isopropyl-1,4-cyclohexadiene

DTXSID6041210

CHEBI:10577

AI3-26468

NSC-21448

DTXCID4021210

MFCD00001537

Crithmene; Moslene; NSC 21448; gamma-Terpinene

Gamma-terpinene gamma-terpinene

Alpha terpinene

Gamma terpinene

-terpinene

gamma -Terpinene

Terpinene, .gamma.-

? TERPINENE

?-TERPINENE

gamma-Terpinene, 97%

1-isopropyl-4-methyl-cyclohexa-1,4-diene

|A-TPN

bmse000778

1, 1-methyl-4-isopropyl-

GAMMA-TERPINENE [FCC]

CHEMBL449693

gamma-Terpinene, >=95%, FG

NSC21448

gamma-Terpinene, analytical standard

Tox21_300963

WLN: L6U CUTJ AY1&1 D1

gamma-Terpinene, natural, 95%, FG

P-MENTHA-1,4-DIENE [FHFI]

AKOS015840812

1ST1650

HY-W020183

LMPR0102090027

CAS-99-85-4

NCGC00248232-01

NCGC00254865-01

BS-23574

gamma-Terpinene, purum, >=97.0% (GC)

1-Isopropyl-4-methyl-1,4-cyclohexadiene #

M0318

NS00013198

C09900

E80754

EN300-211578

Q423975

W-100015

Z1255382936

gamma-Terpinene, primary pharmaceutical reference standard

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

9NI

Microorganism:

Yes

IUPAC name

1-methyl-4-propan-2-ylcyclohexa-1,4-diene

SMILES

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

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

7461

Molweight

136.23

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

10577

Supernatural-ID

SN0452646

mVOC Specific Details

MS-Links

MS-MS Spectrum 9143

MS-MS Spectrum 2453 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 9144

MS-MS Spectrum 15816

MS-MS Spectrum 9145

MS-MS Spectrum 2451 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2452 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 15815

MS-MS Spectrum 15817

MS-MS Spectrum 6085 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 6083 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 6084 - EI-B (HITACHI M-80) Positive

1D-NMR-Links

1D NMR Spectrum 5131

1D NMR Spectrum 2747 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3441 - 50.32 MHz 13C NMR

1D NMR Spectrum 5130

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007120

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007396

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007568

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS088601

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT208860

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT208863

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
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	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
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	Amanita Ovoidea		France	Breheret et al. 1997
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	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)	Gioacchini et al. 2008
Eukaryota	Trichoderma Atroviride		NA	Stoppacher et al. 2010
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian	SPME/GC-MS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
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	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	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	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis		Headspace trapping/GC-MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no

1-methyl-4-propan-2-ylcyclohexa-1,3-diene

Mass-Spectra

Compound Details

Synonymous names

ALPHA-TERPINENE

99-86-5

Terpilene

p-Mentha-1,3-diene

1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

1-Isopropyl-4-methyl-1,3-cyclohexadiene

alpha-Terpinen

1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene

1-isopropyl-4-methylcyclohexa-1,3-diene

FEMA No. 3558

.alpha.-Terpinen

1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

1-Methyl-4-isopropylcyclohexadiene-1,3

1-methyl-4-propan-2-ylcyclohexa-1,3-diene

alphaTerpinene

CCRIS 9058

a-terpinene

CHEBI:10334

alpha -Terpinene

1,3-Cyclohexadiene, 1-methyl-4-isopropyl-

EINECS 202-795-1

.alpha.-Terpinene

UNII-I24X278AP1

1-Methyl-4-isopropyl-1,3-cyclohexadiene

DTXSID9041237

1-isopropyl-4-methyl-cyclohexa-1,3-diene

AI3-26467

I24X278AP1

DTXCID7021237

MFCD00001534

4-ISOPROPYL-1-METHYL-1,3-CYCLOHEXADIENE

-Terpinen

.alpha.-Terpine

.ALPHA.TERPINENE

alpha-Terpinene, 85%

a-Terpinene (~90%)

Epitope ID:123897

Alpha-Terpinene (~90%)

ALPHA-TERPINENE [FCC]

Alpha-terpinene alpha-terpinene

CHEMBL2251642

FEMA 3558

alpha-Terpinene, analytical standard

Tox21_301126

alpha-Terpinene, >=95.0% (GC)

P-MENTHA-1,3-DIENE [FHFI]

AKOS015841730

alpha-Terpinene, >=89%, FCC, FG

1ST1970

HY-W020182

LMPR0102090026

CAS-99-86-5

NCGC00248299-01

NCGC00255025-01

BS-33443

CS-0039183

M0317

NS00013197

C09898

E75753

A-Terpinene =89%, contains BHT as stabilizer

alpha-Terpinene 2000 microg/mL in Acetonitrile

EN300-6738504

Q423851

W-100014

Z1255364643

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

9MI

Microorganism:

Yes

IUPAC name

1-methyl-4-propan-2-ylcyclohexa-1,3-diene

SMILES

CC1=CC=C(CC1)C(C)C

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

7462

Molweight

136.23

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

10334

Supernatural-ID

SN0450667

mVOC Specific Details

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007119

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007398

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
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	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Paecilomyces Variotii		compost	Fischer et al. 1999
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
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
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	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	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	yes
Eukaryota	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Fusarium Culmorum	potato dextrose agar	GC/MS-Q-TOF	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no

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

3-methylpentan-1-ol

Mass-Spectra

Compound Details

Synonymous names

3-METHYL-1-PENTANOL

3-Methylpentan-1-ol

589-35-5

3-Methylpentanol

2-Ethyl-4-butanol

3-Ethyl-1-butanol

1-Pentanol, 3-methyl-

FEMA No. 3762

MFCD00002937

N8W93SI0FS

(+/-)-3-methyl-1-pentanol

NSC-9466

20281-83-8

UNII-N8W93SI0FS

NSC9466

3-methyl pentanol

NSC 9466

EINECS 209-644-9

3-methyl pentan-1-ol

3-Methyl-pentan-1-ol

AI3-38563

SCHEMBL14990

3-Methyl-1-pentanol, 99%

SCHEMBL8988208

CHEBI:87381

DTXSID20862248

3-Methyl-(.+/-.)-1-Pentanol

(DL)-3-METHYLPENTYL ALCOHOL

LMFA05000111

3-Methyl-1-pentanol, >=99%, FG

AKOS009156537

MCULE-6482427735

SB83830

1-Pentanol, 3-methyl-, (.+/-.)-

BS-23125

SY061820

DB-050838

CS-0204814

M0600

NS00012960

D91364

EN300-140256

A869318

Q3278324

343268-11-1

Microorganism:

Yes

IUPAC name

3-methylpentan-1-ol

SMILES

CCC(C)CCO

Inchi

InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

Formula

C₆H₁₄O

PubChem ID

11508

Molweight

102.17

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

87381

Supernatural-ID

SN0157308

mVOC Specific Details

Boiling Point

Degree	Reference
151 median

MS-Links

MS-MS Spectrum 103843

MS-MS Spectrum 103842

MS-MS Spectrum 169984

MS-MS Spectrum 169985

MS-MS Spectrum 169983

MS-MS Spectrum 103844

1D-NMR-Links

1D NMR Spectrum 4496

1D NMR Spectrum 4623

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006555

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008780

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009995

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Ascocoryne Sp.		NA	Griffin et al. 2010
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Ascocoryne Sp.			no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no

2-methyl-5-propan-2-ylcyclohexa-1,3-diene

Mass-Spectra

Compound Details

Synonymous names

ALPHA-PHELLANDRENE

99-83-2

p-Mentha-1,5-diene

Menthadiene

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-

alpha-Fellandrene

Dihydro-p-cymene

alpha Phellandrene

5-Isopropyl-2-methyl-1,3-cyclohexadiene

4-Isopropyl-1-methyl-1,5-cyclohexadiene

.alpha.-Phellandrene

Phellandrene, alpha-

2-Methyl-5-isopropyl-1,3-cyclohexadiene

FEMA No. 2856

5-isopropyl-2-methylcyclohexa-1,3-diene

1-Isopropyl-4-methyl-2,4-cyclohexadiene

1-Methyl-4-isopropyl-1,5-cyclohexadiene

alpha-Phellandrene (natural)

HSDB 1130

alpha-Phellandren

2-methyl-5-propan-2-ylcyclohexa-1,3-diene

EINECS 202-792-5

UNII-49JV13XE39

2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene

BRN 1280394

DTXSID4047593

CHEBI:50035

(-)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene

49JV13XE39

2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene

(+/-)-alpha-Phellandrene

alpha-Phellandrene, stabilized

5-isopropyl-2-methyl-cyclohexa-1,3-diene

DTXCID2027593

a-phellandrene

NSC1842

3-05-00-00342 (Beilstein Handbook Reference)

1-phellandrene

-Phellandrene

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-; p-Mentha-1,5-diene (8CI); 2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene; 6-Isopropyl-3-methyl-1,3-Cyclohexadien

.alpha.-Fellandrene

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-

PHELLANDRENE,ALPHA

.ALPHA. PHELLANDRENE

rho-MENTHA-1,5-DIENE

ALPHA-PHELLANDRENE [FCC]

CHEMBL3188459

FEMA 2856

FERRICORTHOPHOSPHATEHYDRATE

a-Phellandrene (Technical Grade)

ALPHA-PHELLANDRENE [HSDB]

.RHO.-MENTHA-1,5-DIENE

.ALPHA.-PHELLANDRENE [MI]

AMY22322

NSC-1842

.ALPHA.-PHELLANDRENE [FHFI]

Tox21_302550

MFCD00040419

(+/-)-.ALPHA.-PHELLANDRENE

AKOS015913085

CAS-99-83-2

.ALPHA.-PHELLANDRENE, (+/-)-

NCGC00256667-01

1ST40228

AS-75606

SY052143

alpha-Phellandrene, natural, >=85%, FG

DB-070271

DB-278900

HY-121615

CS-0082877

M0051

NS00012750

E77746

EN300-7644670

(+/-)-alpha-Phellandrene 100 microg/mL in Methanol

Q19606345

Microorganism:

Yes

IUPAC name

2-methyl-5-propan-2-ylcyclohexa-1,3-diene

SMILES

CC1=CCC(C=C1)C(C)C

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

7460

Molweight

136.23

LogP

3.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

50035

Supernatural-ID

SN0264736

mVOC Specific Details

MS-Links

MS-MS Spectrum 85596

MS-MS Spectrum 147728

MS-MS Spectrum 147726

MS-MS Spectrum 147727

MS-MS Spectrum 85598

MS-MS Spectrum 85597

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007116

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007397

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
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	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Paecilomyces Variotii		compost	Fischer et al. 1999
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Fusarium Culmorum	na	sandy dune soil, Netherlands	Schmidt et al. 2015
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas (Emilia Romagna, Border region area between Emilia Romagna and Marche)	Gioacchini et al. 2008
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian FE supp.	SPME/GC-MS	no
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	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	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no
Eukaryota	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Fusarium Culmorum	water agar supplied with artificial root exudates	GC/MS-Q-TOF	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

1-methyl-4-propan-2-ylidenecyclohexene

Mass-Spectra

Compound Details

Synonymous names

TERPINOLENE

586-62-9

Isoterpinene

Terpinolen

alpha-Terpinolene

4-Isopropylidene-1-methylcyclohexene

p-Mentha-1,4(8)-diene

1,4(8)-p-Menthadiene

Nofmer TP

Tereben

p-Menth-1,4(8)-diene

1,4(8)-Terpadiene

Cyclohexene, 1-methyl-4-(1-methylethylidene)-

1-Methyl-4-(1-methylethylidene)cyclohexene

1-Methyl-4-isopropylidene-1-cyclohexene

FEMA No. 3046

FEMA Number 3046

1-Methyl-4-(1-methylethylidene)-1-cyclohexene

HSDB 5702

EINECS 209-578-0

UNII-N9830X5KSL

p-Meth-1-en-8-yl-formate

4-isopropylidene-1-methyl-cyclohexene

1-methyl-4-(propan-2-ylidene)cyclohex-1-ene

.gamma.-Terpinolene

1-methyl-4-propan-2-ylidenecyclohexene

CHEBI:9457

N9830X5KSL

DTXSID0027222

1-methyl-4-(propan-2-ylidene)cyclohexene

AI3-24378

DTXCID507222

EC 209-578-0

MFCD00049191

1-methyl-4-(1-methylethylidene)-cyclohexene

Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)

1-methyl-4-(propan-2-ylidene)cyclohexene p-mentha-1,4(8)-diene

UN2541

delta-Terpinene

alpha -Terpinolene

.alpha.-Terpinolene

.alpha.- Terpinolen

Terpinolene (>85%)

Terpinolene, >=90%

TERPINOLENE with GC

TERPINOLENE [FHFI]

TERPINOLENE [HSDB]

bmse000504

CHEMBL454697

Terpinolene, analytical standard

FEMA 3046

Tox21_303268

AKOS028108377

FS-6812

LMPR0102090062

Terpinolene, technical, >=85% (GC)

UN 2541

d-1-methyl-4-isopropenyl-1-cyclohexene

Terpinolene, purum, >=95.0% (GC)

NCGC00256963-01

CAS-586-62-9

4-ISOPROPYLIDENE-1-METHYLCYCLOHEXANE

DB-053242

Terpinolene 1000 microg/mL in Isopropanol

NS00005520

T0817

Terpinolene [UN2541] [Flammable liquid]

C06075

EN300-125038

Alpha-Terpinolene 1000 microg/mL in Isopropanol

1-Methyl-4-(1-methylethylidene)-1-cyclohexene #

1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI

Q-201793

Q2405051

Z1255360533

CYCLOHEXENE, 1-METHYL-4-(1-METHYLETHYLIDENE)-, (R)-

9LR

Microorganism:

Yes

IUPAC name

1-methyl-4-propan-2-ylidenecyclohexene

SMILES

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

Inchi

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3

Formula

C₁₀H₁₆

PubChem ID

11463

Molweight

136.23

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

9457

Supernatural-ID

SN0231433

mVOC Specific Details

Boiling Point

Degree	Reference
187 deg C	Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-494

Volatilization

The Henry's Law constant for terpinolene is 2.62X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that terpinolene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 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). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 48 days if adsorption is considered(3). Terpinolene is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 7.43X10-1 mm Hg(4).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Li J et al; Environ International 24: 353-58 (1998)

Soil Adsorption

The Koc of terpinolene is estimated as 7,600(SRC), using a log Kow of 4.47(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that terpinolene is expected to be immobile in soil.
Literature: (1) Li J et al; Environ International 24: 353-58 (1998) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 6, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.74 mm Hg at 25 deg C	Li J et al; Environ International 24: 353-358 (1998)

MS-Links

MS-MS Spectrum 78799

MS-MS Spectrum 78800

MS-MS Spectrum 139249

MS-MS Spectrum 139250

MS-MS Spectrum 139248

MS-MS Spectrum 78798

1D-NMR-Links

1D NMR Spectrum 5125

1D NMR Spectrum 5126

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007121

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007573

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
Eukaryota	Cystoderma Carcharias		France	Breheret et al. 1997
Eukaryota	Mycena Pura		France	Breheret et al. 1997
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Prokaryota	Streptomyces Sp.	na	breathing zone of a waste collection worker	Wilkins 1996
Eukaryota	Trichoderma Atroviride		NA	Stoppacher et al. 2010
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	Muscodor Fengyangensis	n/a	Zhejiang Province of Southeast China	Zhang et al. 2010
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)	Gioacchini et al. 2008
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian FE supp.	SPME/GC-MS	no
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Eukaryota	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cystoderma Carcharias	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Mycena Pura	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no
Eukaryota	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Streptomyces Sp.	Nutrient agar CM3 + 50mg/l actidione	GC/MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-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
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Muscodor Fengyangensis	potato dextrose agar	The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS).	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and 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
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no

2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene

Mass-Spectra

Compound Details

Synonymous names

ALPHA-THUJENE

2867-05-2

3-Thujene

Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-

THUJONE, (A + B)(SG)

2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene

Origanene

alpha-Thuiene

2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene

alpha-Thujen

.alpha.-Thujene

2-Methyl-5-(1-methylethyl)-bicyclo(3.1.0)hex-2-ene

2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene

CHEBI:50031

thujene (alpha-)

4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene

Thujene, .alpha.-

5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene

(-)-3-Thujene

Thujone,(a + b)(sg)

(1R,5S)-thuj-2-ene

(1R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene

DTXSID20863038

DB-326055

NS00048720

EN300-7441739

5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene #

Q27121796

Microorganism:

IUPAC name

2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene

SMILES

CC1=CCC2(C1C2)C(C)C

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

17868

Molweight

136.23

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

50031

Supernatural-ID

SN0192322

mVOC Specific Details

Boiling Point

Degree	Reference
150 median

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
Eukaryota	Gomphidius Glutinosus		France	Breheret et al. 1997
Eukaryota	Tricholoma Caligatum		France	Breheret et al. 1997
Eukaryota	Hypoxylon Anthochroum	na	endophytic in Bursera lancifolia	Ulloa-Benítez et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Gomphidius Glutinosus	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Caligatum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Hypoxylon Anthochroum	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	no

Results for: Species: Hypoxylon anthochroum Signature

2-pentylfuran

Compound Details

mVOC Specific Details

1-ethenyl-4-methoxybenzene

Compound Details

mVOC Specific Details

1-methyl-4-prop-1-en-2-ylbenzene

Compound Details

mVOC Specific Details

1-methyl-3-propan-2-ylbenzene

Compound Details

mVOC Specific Details

2-phenylethanol

Compound Details

mVOC Specific Details

(1Z,3Z,6Z)-cycloocta-1,3,6-triene

Compound Details

mVOC Specific Details

1-prop-1-ynylcyclohexene

Compound Details

mVOC Specific Details

(4E,6E)-2,6-dimethylocta-2,4,6-triene

Compound Details

mVOC Specific Details

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Compound Details

mVOC Specific Details

2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

1,2,4-trimethylidenecyclohexane

Compound Details

mVOC Specific Details

2-phenylbutanedioic Acid

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-ylcyclohexa-1,4-diene

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-ylcyclohexa-1,3-diene

Compound Details

mVOC Specific Details

2-methylbutan-1-ol

Compound Details

mVOC Specific Details

3-methylpentan-1-ol

Compound Details

mVOC Specific Details

2-methyl-5-propan-2-ylcyclohexa-1,3-diene

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-ylidenecyclohexene

Compound Details

mVOC Specific Details

2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene

Compound Details

mVOC Specific Details

Results for:
Species: Hypoxylon anthochroum

Signature