Results for:
Species: Penicillium polonicum

Signature

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-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names

P-CYMENE

4-Isopropyltoluene

99-87-6

p-Isopropyltoluene

Dolcymene

Para-cymene

p-Cymol

Paracymene

Camphogen

p-Methylcumene

1-Isopropyl-4-methylbenzene

4-Cymene

2-p-Tolylpropane

Cymol

CYMENE

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

p-Methylisopropylbenzene

Paracymol

1-Methyl-4-isopropylbenzene

p-Cimene

4-Isopropyl-1-methylbenzene

Cumene, p-methyl-

4-Methylisopropylbenzene

1-Methyl-4-(1-methylethyl)benzene

p-methyl cumene

p-Isopropylmethylbenzene

4-Methyl-1-isopropylbenzene

Cymene, p-

Benzene, 1-isopropyl-4-methyl-

Isopropyltoluene

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

4-Isopropyltoluol

FEMA No. 2356

4-Isopropylbenzyl radical

4-methyl isopropylbenzene

4-Cymol

NSC 4162

1-methyl-4-propan-2-ylbenzene

HSDB 5128

Methyl-4-(1-methylethyl)benzene

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

EINECS 202-796-7

UNII-1G1C8T1N7Q

1-isopropyl-4-methyl-Benzene

1G1C8T1N7Q

DTXSID3026645

CHEBI:28768

AI3-02272

NSC-4162

p-Mentha-1,3,5-triene

DTXCID006645

EC 202-796-7

1-Methyl-4-(1-methylethyl)-benzene

MFCD00008893

CYMENE (MART.)

CYMENE [MART.]

BENZENE,1-ISOPROPYL,4-METHYL P-CYMENE

4939-75-7

para cymene

CAS-99-87-6

isopropyltoluol

p-methyl-Cumene

4-lsopropyltoluene

MML

?4-Isopropyltoluene

p-Cymene, 99%

p-Cymene [UN2046] [Flammable liquid]

Carvacrol derivative, 8

p-Methylisopropyl benzene

P- Isopropylmethylbenzene

P-CYMENE [FHFI]

P-CYMENE [HSDB]

P-CYMENE [INCI]

P-CYMENE [FCC]

P-CYMENE [MI]

bmse000503

P-CYMENE [WHO-DD]

p-Cymene, analytical standard

1-Methyl-4-isopropyl benzene

p-Cymene, >=97%, FG

CHEMBL442915

NSC4162

BDBM248165

benzene, 1-methyl-4-methylethyl-

WLN: 1Y1 & R D1

1-(1-methylethyl)-4-methylbenzene

Tox21_201932

Tox21_300338

s5598

AKOS000121521

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

CCG-266123

LMPR0102090014

MCULE-1794861612

p-Isopropyltoluene, analytical standard

USEPA/OPP Pesticide Code: 122103

NCGC00247998-01

NCGC00247998-02

NCGC00254425-01

NCGC00259481-01

AC-34132

AS-11012

NS00005157

S0664

EN300-21455

C06575

Q284072

W-100013

p-Cymene, certified reference material, TraceCERT(R)

F8889-6466

Z104497772

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

Microorganism:

Yes

IUPAC name

1-methyl-4-propan-2-ylbenzene

SMILES

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

Inchi

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

Formula

C₁₀H₁₄

PubChem ID

7463

Molweight

134.22

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds alkylbenzenes benzenoids terpenes

CHEBI-ID

28768

Supernatural-ID

SN0124311

mVOC Specific Details

Boiling Point

Degree	Reference
177.1 °C peer reviewed

Volatilization

The Henry's Law constant for p-cymene is estimated as 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.4 mg/L(2). This Henry's Law constant indicates that p-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 if adsorption is neglected(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 if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 30 days if adsorption is considered(4). p-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Cymene is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1996) (2) Banerjee S et al; Environ Sci Technol 11: 1227-29 (1980) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of p-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that p-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 29, 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
1.50 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1996)

MS-Links

MS-MS Spectrum 44229

MS-MS Spectrum 44231

MS-MS Spectrum 136806

MS-MS Spectrum 136807

MS-MS Spectrum 136808

MS-MS Spectrum 44230

1D-NMR-Links

1D NMR Spectrum 5119

1D NMR Spectrum 5120

1D NMR Spectrum 3442 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001543

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007208

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007565

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012272

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Tuberculosis	NA	NA	Phillips et al. 2007
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
Eukaryota	Mycena Rosea		France	Breheret et al. 1997
Eukaryota	Tricholoma Caligatum		France	Breheret et al. 1997
Eukaryota	Penicillium Roqueforti	n/a	obtained fronm department of Biotechnology , Denmark Technical UniversitÃ¤t at Copenhagen	Jelen 2003
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas (Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al. 2008
Prokaryota	Pseudomonas Tolaasii	na	na	Lo Cantore et al. 2015
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
	Meyerozyma Guilliermondii			Xiong et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Tuberculosis	VersaTREK	TD/GC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Mycena Rosea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Caligatum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Penicillium Roqueforti	wheat kernel medium	incubated at 20Â°C for 14 days, isolation by SPME with different fibres	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Prokaryota	Pseudomonas Tolaasii	KB	SPME-GC	no
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
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
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	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

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

Synonymous names

GEOSMIN

19700-21-1

(-)-geosmin

Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol

MYW912WXJ4

CHEBI:46702

trans-1,10-dimethyl-trans-decalol

(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

trans-1,10-Dimethyl-trans-9-decalol

(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4.alpha.,4a.alpha.,8a.beta.)]-

(4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalen-4a-ol

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4.alpha.,4a.alpha.,8a.beta.)-

(+/-)-Geosmin

1,10-Dimethyl-9-decalol

EINECS 243-239-8

UNII-MYW912WXJ4

rac Geosmin

4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #

4,8alpha-dimethyl-octahydro-naphthalen-4alpha-ol

GEOSMIN [MI]

4,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL

39 - Geosmin and MIB

SCHEMBL50009

4a-.alpha.-(2H)-Naphthol, octahydro-4-.alpha.,8a-.beta.-dimethyl-

CHEMBL2374043

FEMA NO. 4682

(4S,4aS,8aR)-Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol

4a-alpha-(2H)-Naphthol, octahydro-4-alpha,8a-beta-dimethyl-

DTXSID801024112

4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S-(4-alpha,4a-alpha,8a-beta))-

NCGC00165950-01

(+/-)-Geosmin 10 microg/mL in Methanol

(+/-)-Geosmin 100 microg/mL in Methanol

NS00122563

Q420233

Microorganism:

Yes

IUPAC name

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

SMILES

CC1CCCC2(C1(CCCC2)O)C

Inchi

InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1

Formula

C₁₂H₂₂O

PubChem ID

29746

Molweight

182.3

LogP

3.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

46702

Supernatural-ID

SN0168756-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Penicillium Discolor		NA	Schnürer et al. 1999
Eukaryota	Penicillium Expansum		NA	Schnürer et al. 1999
Prokaryota	Streptomyces Sp.	antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)	coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean Sea	Gómez et al. 2021
Prokaryota	Streptomyces Salmonis	control of postharvest anthracnose disease of chili caused by Colletotrichum gloeosporioides PSU-03	Phitsanulok Seed Research and Development Center, Department of Agriculture, Ministry of Agriculture and Cooperatives, Thailan	Boukaew et al. 2021
Prokaryota	Myxococcus Xanthus	strongly altered movement of Caenorhabditis elegans	Leibniz Institute DSMZ-German Collection of Microorganisms and Cell Cultures	Zaroubi et al. 2022
Prokaryota	Streptomyces Philanthi	antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4	NA	Boukaew and Prasertsan 2020
Prokaryota	Streptomyces Griseus		NA	Riu et al. 2022
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Streptomyces Griseus	n/a	NA	Nawrath et al. 2008
Prokaryota	Myxococcus Xanthus	n/a	NA	Nawrath et al. 2008
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Rishiriensis	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Albus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Eukaryota	Penicillium Expansum	n/a	NA	Mattheis and Roberts 1992
Prokaryota	Actinobacteria Sp.	n/a	NA	Stahl and Parkin 1976
Prokaryota	Streptomycetes Sp.	n/a	NA	Stritzke et al. 2004
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Anabaena Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Lyngbya Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Citreus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sulphureus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Griseus	n/a	NA	Dickschat et al. 2005
Prokaryota	Streptomyces Coelicolor	n/a	NA	Dickschat et al. 2005
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
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
Prokaryota	Streptomyces Griseus		NA	Gerber and Lechevalier 1965
Eukaryota	Aspergillus Niger		NA	Priegnitz et al. 2015
Eukaryota	Penicillium Sp.		NA	Larsen and Frisvad 1995
Eukaryota	Chaetomium Globosum		NA	Kikuchi et al. 1983
Prokaryota	Streptomyces Griseus	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Antibioticus	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Fradiae	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Odorifer	na	na	Gerber and Lechevalier 1965
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	no
Eukaryota	Penicillium Discolor	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Expansum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Streptomyces Sp.	ISP2 (International Streptomyces Project) media	GS-MS	no
Prokaryota	Streptomyces Salmonis	GYM agar	SPME/GC-MS	no
Prokaryota	Myxococcus Xanthus	1 % CTT media	GC-MS	yes
Prokaryota	Streptomyces Philanthi	sterile wheat seeds	GC-MS	yes
Prokaryota	Streptomyces Griseus	TSA media, sterile soil	SPME/GC-MS	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Streptomyces Griseus	n/a	n/a	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Sp.	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Rishiriensis	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Albus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Antibioticus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Coelicolor	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hirsutus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hygroscopicus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Thermoviolaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Eukaryota	Penicillium Expansum	n/a	n/a	no
Prokaryota	Actinobacteria Sp.	n/a	n/a	no
Prokaryota	Streptomycetes Sp.	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Anabaena Sp.	n/a	n/a	no
Prokaryota	Lyngbya Sp.	n/a	n/a	no
Prokaryota	Oscillatoria Sp.	n/a	n/a	no
Prokaryota	Streptomyces Albus	n/a	n/a	no
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no
Prokaryota	Streptomyces Citreus	n/a	n/a	no
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Streptomyces Antibioticus	n/a	n/a	no
Prokaryota	Streptomyces Sulphureus	n/a	n/a	no
Prokaryota	Streptomyces Coelicolor	n/a	n/a	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Prokaryota	Streptomyces Griseus			no
Eukaryota	Aspergillus Niger			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Chaetomium Globosum			no
Prokaryota	Streptomyces Griseus	YD + CaCO3/SBM/Pablum	GC	no
Prokaryota	Streptomyces Antibioticus	SBM/Pablum	GC	no
Prokaryota	Streptomyces Antibioticus	Pablum	GC	no
Prokaryota	Streptomyces Fradiae	Pablum	GC	no
Prokaryota	Streptomyces Fradiae	SBM Pablum	GC	no
Prokaryota	Streptomyces Odorifer	YD + CaCO3/SBM/Pablum	GC	no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Eukaryota	Penicillium Commune	DG18,MEA	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

Mass-Spectra

Compound Details

Synonymous names

2-METHYLISOBORNEOL

1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol

2-Bornanol, 2-methyl-

68330-43-8

(-)-2-Methyl Isoborneol

Bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-

Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1R-exo)-

18680-50-7

CCRIS 6593

D43XMP4DNW

2-Methylborneol

starbld0001530

UNII-D43XMP4DNW

3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

SCHEMBL50282

LFYXNXGVLGKVCJ-UHFFFAOYSA-N

2-Norbornanol, 1,2,7,7-tetramethyl-

1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol #

Q1082826

(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol

Microorganism:

Yes

IUPAC name

1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

SMILES

CC1(C2CCC1(C(C2)(C)O)C)C

Inchi

InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3

Formula

C₁₁H₂₀O

PubChem ID

16913

Molweight

168.28

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols terpenes

CHEBI-ID

61987

Supernatural-ID

SN0204428

mVOC Specific Details

MS-Links

MS-MS Spectrum 112693

MS-MS Spectrum 50140

MS-MS Spectrum 50141

MS-MS Spectrum 50139

MS-MS Spectrum 112692

MS-MS Spectrum 112694

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Niger		NA	Schnürer et al. 1999
Eukaryota	Penicillium Solitum		NA	Schnürer et al. 1999
Prokaryota	Streptomyces Sp.	antifungal activity against Colletotrichum gloeosporioides (growth and spore inhibition)	coral reef of Old Providence and Santa Catalina Islands, Colombian, Caribbean Sea	Gómez et al. 2021
Prokaryota	Streptomyces Lavendulae	n/a	NA	Dickschat et al. 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Dickschat et al. 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	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 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	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Oscillatoria Chalybea	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinobacteria Sp.	n/a	NA	Stahl and Parkin 1976
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Streptomyces Alboflavus	n/a	NA	Wang et al. 2013
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017
Prokaryota	Streptomyces Sp.		NA	Medsker et al. 1969
Eukaryota	Aspergillus Niger		NA	Priegnitz et al. 2015
Eukaryota	Penicillium Sp.		NA	Larsen and Frisvad 1995
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Niger	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Solitum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Streptomyces Sp.	ISP2 (International Streptomyces Project) media	GS-MS	no
Prokaryota	Streptomyces Lavendulae	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Prokaryota	Streptomyces Sp.	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hygroscopicus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Oscillatoria Sp.	n/a	n/a	no
Prokaryota	Oscillatoria Chalybea	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Actinobacteria Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Streptomyces Alboflavus	Gause's synthetic medium	Headspace, solid-phase microextraction	no
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no
Prokaryota	Streptomyces Sp.			no
Eukaryota	Aspergillus Niger			no
Eukaryota	Penicillium Sp.			no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

3-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names

ISOVALERIC ACID

3-Methylbutanoic acid

503-74-2

Isopentanoic acid

3-Methylbutyric acid

Delphinic acid

Isopropylacetic acid

Isovalerianic acid

Butanoic acid, 3-methyl-

Isobutylformic acid

Isovalerianic

beta-Methylbutyric acid

Acetic acid, isopropyl-

3-Methylbutyrate

Butyric acid, 3-methyl-

3-methyl-butanoic acid

Kyselina isovalerova

Isobutyl formic acid

Isovaleriansaeure

FEMA No. 3102

3-methyl-n-butyric acid

Isovaleric acid (natural)

FEMA Number: 3102

3-Methylbuttersaeure

3-methyl butyric acid

3-methyl-butyric acid

NSC 62783

HSDB 629

.beta.-Methylbutyric acid

EINECS 207-975-3

MFCD00002726

b-Methylbutyric acid

UNII-1BR7X184L5

BRN 1098522

DELPHINIC-ACID

DTXSID5029182

CHEBI:28484

AI3-24132

1BR7X184L5

NSC-62783

3,4-Diisovaleryl adrenaline

DTXCID309182

3-Methyl-d3-butyric--d4 Acid

EC 207-975-3

4-02-00-00895 (Beilstein Handbook Reference)

Butanoic acid, 3-methyl-, (R)-

isopropylacetate

IVA

ISOVALERIC ACID (MART.)

ISOVALERIC ACID [MART.]

Kyselina isovalerova [Czech]

92634-50-9

methyl butanoic acid

METHYLBUTANOIC ACID

b-Methylbutyrate

iso-valeric acid

3-Methylbutanoicacid

iso-C4H9COOH

Isovaleric acid, 99%

bmse000373

SCHEMBL43436

ISOVALERIC ACID [MI]

ISOVALERIC ACID [FCC]

ISOVALERIC ACID [FHFI]

ISOVALERIC ACID [HSDB]

CHEMBL568737

WLN: QV1Y1&1

ISOVALERIC ACID [WHO-DD]

AMY40214

BCP32116

NSC62783

STR08356

Isovaleric acid, analytical standard

Tox21_201604

BBL027399

Isovaleric acid (mixture of isomers)

LMFA01020181

s6287

STL146358

AKOS000119861

Isovaleric acid, >=99%, FCC, FG

CS-W013696

DB03750

HY-W012980

MCULE-5805071360

3-Methylbutyric acid: isopropyl-Acetate

Isovaleric acid sodium salt (Salt/Mix)

Isovaleric acid, natural, >=98%, FG

NCGC00249082-01

NCGC00259153-01

35915-22-1

CAS-503-74-2

3-Methylbutyric acid: isopropyl-Acetic acid

M0182

NS00001831

EN300-19718

C08262

D78213

Q415536

J-522594

F2191-0067

Z104474910

3-Methylbutanoic acid;3-Methylbutyric acid;Isopentanoic acid

InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7

Microorganism:

Yes

IUPAC name

3-methylbutanoic acid

SMILES

CC(C)CC(=O)O

Inchi

InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

Formula

C₅H₁₀O₂

PubChem ID

10430

Molweight

102.13

LogP

1.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

acids carboxylic acids organic acids

CHEBI-ID

28484

Supernatural-ID

SN0117561

mVOC Specific Details

Boiling Point

Degree	Reference
176.5 °C	PhysProp
176.5 DEG C @ 760 MM HG	Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-98

Volatilization

The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)

Soil Adsorption

The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
0.44 mm Hg at 25 deg C	Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston, TX: Gulf Publishing Co. p. 387 (1994)

MS-Links

MS-MS Spectrum 19655

MS-MS Spectrum 1005 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 19657

MS-MS Spectrum 12985

MS-MS Spectrum 4517 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 19656

MS-MS Spectrum 12984

MS-MS Spectrum 4518 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 4519 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 4520 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 4516 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 12983

MS-MS Spectrum 1006 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 1007 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 1260 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 1497 - Varian 500 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-BGC_Munich-RP015201

Massbank Spectrum MSBNK-BGC_Munich-RP015202

Massbank Spectrum MSBNK-BGC_Munich-RP015203

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004262

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009180

Massbank Spectrum MSBNK-Keio_Univ-KO001193

Massbank Spectrum MSBNK-Keio_Univ-KO001194

Massbank Spectrum MSBNK-Keio_Univ-KO001195

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS095401

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	Fitzgerald et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Corynebacterium Striatum		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Epidermidis		NA	Lemfack et al. 2016
Prokaryota	Staphylococcus Epidermidis		clinical isolate,nose	Lemfack et al. 2016
Prokaryota	Staphylococcus Epidermidis		clinical isolate,catheter	Lemfack et al. 2016
Prokaryota	Staphylococcus Haemolyticus		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Staphylococcus Intermedius		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Saccharolyticus		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	Staphylococcus Warneri		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Escherichia Coli		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Staphylococcus Aureus		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Staphylococcus Epidermidis		NA	Timm et al. 2018
Prokaryota	Staphylococcus Aureus		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Bacillus Tequilensis	antifungal activity against the hyphae growth of Ceratocystis fimbriata	rhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016	Xu et al. 2021
Prokaryota	Staphylococcus Epidermidis		DSMZ - Deutsche Sammlung von Mikroorganismen und Zellkulturen	Verhulst et al. 2009
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Stenotrophomonas Maltophilia	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Staphylococcus Pasteuri	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	fruits of tomato plants (Elpida F1, Enza Zaden)	López et al. 2021
Prokaryota	Pseudomonas Mediterranea	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	roots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Bacillus Sp.	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	NA	López et al. 2021
Prokaryota	Streptococcus Pyogenes		National Collection of Type Cultures	Slade et al. 2022
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Bacillus Velezensis		NA	Riu et al. 2022
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Julak et al. 2003
Prokaryota	Staphylococcus Aureus	n/a	NA	Julak et al. 2003
Prokaryota	Staphylococcus Aureus		milk of cows	Hettinga et al. 2008
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Prokaryota	Staphylococcus Xylosus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caledonica	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caryophylli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Fungorum	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Gladioli	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glathei	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Cellulomonas Uda	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Tait et al. 2014
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Tait et al. 2014
Prokaryota	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Prokaryota	Staphylococcus Sciuri	attract Episyrphus balteatus	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Prokaryota	Lactobacillus Paracasei	na	na	Pogačić et al. 2016
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017
Eukaryota	Agaricus Bisporus	Stimulation of spore germination of Agaricus bisporus.	NA	Stotzky and Schenck 1976
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Porphyromonas Gingivalis	Inhibition of proliferation and cytokine production in Lymphocyte cells.	NA	Kurita-Ochiai et al. 1995
Prokaryota	Prevotella Loescheii	Inhibition of proliferation and cytokine production in Lymphocyte cells.	NA	Kurita-Ochiai et al. 1995
Prokaryota	Fusobacterium Nucleatum	Inhibition of proliferation and cytokine production in Lymphocyte cells.	NA	Kurita-Ochiai et al. 1995
Prokaryota	Bacteroides Distasonis	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Ovatus	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Thetaiotaomicron	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Vulgatus	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Bifermentans	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Sporogenes	n/a	NA	Wiggins et al. 1985
Prokaryota	Porphyromonas Gingivalis	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Prevotella Loescheii	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Prevotella Intermedia	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Capnocytophaga Ochracea	n/a	NA	Kurita-Ochiai et al. 1995
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	Actinomyces Europaeus		clinical exudates	Julak et al. 2003
Prokaryota	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
Prokaryota	Bacteroides Capillosus		clinical exudates	Julak et al. 2003
Prokaryota	Bacteroides Fragilis		clinical exudates	Julak et al. 2003
Prokaryota	Bacteroides Pyogenes		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Difficile		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Perfringens		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Ramosum		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Septicum		clinical exudates	Julak et al. 2003
Prokaryota	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Prokaryota	Fusobacterium Simiae		clinical exudates	Julak et al. 2003
Prokaryota	Lactobacillus Acidophilus		clinical exudates	Julak et al. 2003
Prokaryota	Peptococcus Niger		clinical exudates	Julak et al. 2003
Prokaryota	Peptostreptococcus Anaerobius		clinical exudates	Julak et al. 2003
Prokaryota	Peptostreptococcus Asaccharolyticus		clinical exudates	Julak et al. 2003
Prokaryota	Peptostreptococcus Prevotii		clinical exudates	Julak et al. 2003
Prokaryota	Propionibacterium Acnes		clinical exudates	Julak et al. 2003
Prokaryota	Propionibacterium Propionicum		clinical exudates	Julak et al. 2003
Prokaryota	Staphylococcus Epidermidis		clinical exudates	Julak et al. 2003
Eukaryota	Muscodor Albus		NA	Ezra et al. 2004
Eukaryota	Penicillium Sp.		NA	Ezra et al. 2004
Eukaryota	Polyporus Sulfureus		NA	Ezra et al. 2004
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Andauensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Debaryomyces Hansenii			Li et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Corynebacterium Striatum	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Epidermidis	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Haemolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Intermedius	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Saccharolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Schleiferi	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Sciuri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Warneri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Escherichia Coli	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSA	SPME, GC-MS	no
Prokaryota	Staphylococcus Aureus	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Bacillus Tequilensis	LB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	blood agar	GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	TYB media	GC-MS	no
Prokaryota	Staphylococcus Pasteuri	TYB media	GC-MS	no
Prokaryota	Pseudomonas Mediterranea	TYB media	GC-MS	no
Prokaryota	Bacillus Sp.	TYB media	GC-MS	no
Prokaryota	Streptococcus Pyogenes	TS agar/blood agar	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Bacillus Velezensis	TSA media, sterile soil	SPME/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	VF (peptone, NaCl)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus		GCMS DSQ	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Prokaryota	Staphylococcus Xylosus	n/a	n/a	no
Prokaryota	Burkholderia Andropogonis	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Anthina	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caledonica	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caryophylli	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glathei	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glumae	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cellulomonas Uda	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	Escherichia Coli	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column	no
Prokaryota	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column	no
Prokaryota	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column	no
Prokaryota	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Prokaryota	Staphylococcus Sciuri	873 liquid medium	SPME-GC/MS	no
Prokaryota	Lactobacillus Paracasei	curd-based broth medium	GC/MS	yes
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no
Eukaryota	Agaricus Bisporus	n/a	n/a	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Prokaryota	Porphyromonas Gingivalis	n/a	n/a	no
Prokaryota	Prevotella Loescheii	n/a	n/a	no
Prokaryota	Fusobacterium Nucleatum	n/a	n/a	no
Prokaryota	Bacteroides Distasonis	n/a	n/a	no
Prokaryota	Bacteroides Ovatus	n/a	n/a	no
Prokaryota	Bacteroides Thetaiotaomicron	n/a	n/a	no
Prokaryota	Bacteroides Vulgatus	n/a	n/a	no
Prokaryota	Clostridium Bifermentans	n/a	n/a	no
Prokaryota	Clostridium Sporogenes	n/a	n/a	no
Prokaryota	Prevotella Intermedia	n/a	n/a	no
Prokaryota	Capnocytophaga Ochracea	n/a	n/a	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Actinomyces Europaeus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Actinomyces Naeslundii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Bacteroides Capillosus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Bacteroides Fragilis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Bacteroides Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Difficile	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Perfringens	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Ramosum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Septicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Eubacterium Lentum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Fusobacterium Simiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Lactobacillus Acidophilus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptococcus Niger	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptostreptococcus Anaerobius	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptostreptococcus Asaccharolyticus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptostreptococcus Prevotii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Propionibacterium Acnes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Propionibacterium Propionicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Staphylococcus Epidermidis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Eukaryota	Muscodor Albus			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Polyporus Sulfureus			no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
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 Andauensis	liquid YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Debaryomyces Hansenii	meat with pork lard	GC-MS	no

(1S,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene

Compound Details

Synonymous names

.beta.-Acoradiene

Microorganism:

IUPAC name

(1S,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene

SMILES

CC1CCC(C12CCC(=CC2)C)C(=C)C

Inchi

InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15-/m0/s1

Formula

C₁₅H₂₄

PubChem ID

6428280

Molweight

204.35

LogP

5.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

172925

Supernatural-ID

SN0076261-08

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Oxysporum		NA	Weikl et al. 2016
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Penicillium Decumbens	na	water damaged buildings, Belgium	Polizzi et al. 2012
	Fusarium Graminearum			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Oxysporum	Synthetic nutrient	Head-space sorptive extraction, GC-MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Penicillium Decumbens	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

Styrene

Mass-Spectra

Compound Details

Synonymous names

STYRENE

Ethenylbenzene

100-42-5

Vinylbenzene

Phenylethylene

Styrol

Benzene, ethenyl-

Cinnamene

Phenylethene

Styrolene

Phenethylene

Styrene monomer

9003-53-6

Vinylbenzol

Vinyl benzene

Styropol SO

Styren

Styrole

Benzene, vinyl-

Ethylene, phenyl-

Vinylbenzen

Stirolo

Styreen

Cinnamenol

Cinnamol

Vinyl-benzene

Bulstren K-525-19

Annamene

NCI-C02200

FEMA No. 3233

FEMA Number 3234

Styrol [German]

CCRIS 564

NSC 62785

Cinnaminol

HSDB 171

EINECS 202-851-5

UNII-44LJ2U959V

25086-18-4

DTXSID2021284

CHEBI:27452

AI3-24374

MAOMIN SM

44LJ2U959V

trans-Styrene-(beta)-d

NSC-62785

STYRENE-ALPHA-13C

STYRENE-BETA,BETA-D2

DTXCID501284

Benzene, (1Z)-ethenyl-2-d-

Styrol (German)

EC 202-851-5

TTB 7302

MFCD00084450

Styrene-d5(StabilizedwithHydroquinone)

12770-88-6

Diarex hf 77

NCGC00091056-01

STYRENE-ALPHA,2,3,4,5,6-D6

STYRENE (IARC)

STYRENE [IARC]

Styreen [Dutch]

Styren [Czech]

Styrene, analytical standard

Stirolo [Italian]

Benzene-d5, ethenyl-d3-

Vinylbenzen [Czech]

Vinylbenzen [Dutch]

6911-81-5

Styron

Styrene 100 microg/mL in Methanol

MFCD00008612

styrene, monomer

Monomer, Styrene

MFCD00044231

Styrene (monomer)

CAS-100-42-5

COLESTYRAMINE IMPURITY A (EP IMPURITY)

COLESTYRAMINE IMPURITY A [EP IMPURITY]

Vinylbenzene, inhibited

Phenylethylene, inhibited

UN2055

Styrene monomer, inhibited

ethenyl-benzene

phenyl-ethylene

p-vinyl benzene

Styron (Salt/Mix)

Ethenylbenzene, 9CI

Styropol (Salt/Mix)

Styropor (Salt/Mix)

PhCH=CH2

STYRENE [HSDB]

STYRENE [INCI]

Styrene, >=99%

STYRENE [MI]

Diarex hf 77 (Salt/Mix)

UN 2055 (Salt/Mix)

WLN: 1U1R

BIDD:ER0247

CHEMBL285235

NSC62785

Styrene, ReagentPlus(R), 99.9%

Tox21_113245

Tox21_200808

STL283958

Styrene 2000 microg/mL in Methanol

Styrene 5000 microg/mL in Methanol

AKOS000119972

MCULE-4715354738

Styrene, SAJ first grade, >=99.0%

NCGC00091056-02

NCGC00091056-03

NCGC00091056-04

NCGC00091056-05

NCGC00258362-01

BP-13451

SY061549

Styrene Solution 0.0001 Wt% in Toluene

DB-244813

diameter 0.05 - 0.1um ,2.5% w/v

NS00010820

S0651

EN300-19671

C07083

C19506

Q28917

Styrene (stabilized with 4-tert-Butylcatechol)

A800199

Styrene, 99.5% stab. with 4-tert-Butylcatechol

Styrene contains 4-tert-Butylcatechol as stabilizer

F1908-0130

Z104474664

Styrene monomer, inhibited [UN2055] [Flammable liquid]

InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H

Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%

98444-30-5

Microorganism:

Yes

IUPAC name

styrene

SMILES

C=CC1=CC=CC=C1

Inchi

InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

Formula

C₈H₈

PubChem ID

7501

Molweight

104.15

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aromatic compounds

CHEBI-ID

27452

Supernatural-ID

SN0291411

mVOC Specific Details

Boiling Point

Degree	Reference
145.3 °C peer reviewed

Volatilization

The Henry's Law constant for styrene is reported as 2.75X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that styrene is expected to volatilize from water surfaces(2). Under laboratory conditions, 50% of 2 to 10 mg styrene per liter (depth not specified) was lost by volatilization in 1 to 3 hrs in lake water samples and in 6 to 7 hrs in distilled water, respectively(3). In other studies, the level of styrene in water samples fell from 23 to 3.3 and 0.4 mg/L in 2 hrs and 7 days, respectively, and from 46 to 12.5 and 1.5 mg/L in 2 hrs and 10 days, respectively(4). These findings are relevant to surface waters but not to deeper waters(4). The volatilization half-life of styrene in Rhine River water was 14 days(5). Volatilization of styrene from moist soil surfaces would be slower than in water(4). Samples at 1.5 cm deep of a loamy soil, 26% of 2 mg/kg styrene added volatilized in 31 days(3). The transfer to the air was even slower and less extensive from deep soil(4). The potential for volatilization of styrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 6.4 mm Hg(6).
Literature: (1) Bocek K; Experimetia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Alexander M; Crit Rev Env Sci Technol 27: 383-410 (1997) (5) Zoeteman BCJ et al; Chemosphere 9: 231-49 (1980) (6) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)

Soil Adsorption

The log Koc of styrene is reported to be 2.96(1). According to a classification scheme(2), this Koc value suggests that styrene is expected to have low mobility in soil. More than 85% of styrene is sorbed in 78 hrs on samples from a sandy aquifer(3). Styrene is retained by particulates particularly in organic matter-rich soils(3). Of styrene that had been allowed to sorb for 3 days, 61.0 and 66.7% was desorbed in 16 days from soil and aquifer soils, respectively(4).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Fu MH et al; Environ Toxicol Chem 13: 749-53 (1994)

Vapor Pressure

Pressure	Reference
6.40 mm Hg at 25 deg C	Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)

MS-Links

MS-MS Spectrum 139251

MS-MS Spectrum 139252

MS-MS Spectrum 78801

MS-MS Spectrum 139253

MS-MS Spectrum 78802

MS-MS Spectrum 78803

1D-NMR-Links

1D NMR Spectrum 2063 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2753 - NEVA 15.09 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Athens_Univ-AU501102

Massbank Spectrum MSBNK-Athens_Univ-AU501103

Massbank Spectrum MSBNK-Athens_Univ-AU501104

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012244

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Eukaryota	Aspergillus Fumigatus	NA	NA	Ahmed et al. 2018
Eukaryota	Saccharomyces Cerevisiae		NA	Caballero Ortiz et al. 2018
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Eukaryota	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	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Prokaryota	Bacillus Cereus		isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
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 Borchii	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	Paecilomyces Variotii		compost	Fischer et al. 1999
Eukaryota	Penicillium Brevicompactum		compost	Fischer et al. 1999
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Eukaryota	Penicillium Expansum		compost	Fischer et al. 1999
Eukaryota	Penicillium Glabrum		compost	Fischer et al. 1999
Eukaryota	Penicillium Crustosum		compost	Fischer et al. 1999
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Pseudomonas Aeruginosa	can be used as biomarker for detection of this bacteria	NA	Yusuf et al. 2015
Prokaryota	Pseudomonas Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara 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	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024
	Staphylococcus Aureus			Wang et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Aspergillus Fumigatus	AMM	TD/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	medium malt extract agar ± Sucrose	HS-SPME, GC-MS	no
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	no
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	no
Eukaryota	Aspergillus Flavus	SNA 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	Erwinia Amylovora		SBSE/GC-MS	no
Prokaryota	Bacillus Cereus	LB agar	HS-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 Borchii	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	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Expansum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
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
Prokaryota	Pseudomonas Aeruginosa	blood agar base (TSBA)	SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	nutrient agar (NA)	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	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	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

Compound Details

Synonymous names

Ar-Curcumene

(+)-alpha-Curcumene

4176-06-1

(S)-ar-Curcumene

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (S)-

(+)-Curcumene

(S)-(-)-alpha-curcumene

DTXSID00905046

AKOS040761368

LMPR0103060015

1ST164444

HY-112006

CS-0042339

4-[(1S)-1,5-dimethylhex-4-enyl]-1-methylbenzene

1-[(1S)-1,5-dimethylhex-4-enyl]-4-methyl-benzene

Benzene, 1-[(1S)-1,5-dimethyl-4-hexenyl]-4-methyl-

Microorganism:

IUPAC name

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

SMILES

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

Inchi

InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1

Formula

C₁₅H₂₂

PubChem ID

3083834

Molweight

202.33

LogP

5.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids terpenes aromatic compounds

CHEBI-ID

62757

Supernatural-ID

SN0394643-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

1,3-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names

1,3-Dimethoxybenzene

151-10-0

M-DIMETHOXYBENZENE

Resorcinol dimethyl ether

Benzene, 1,3-dimethoxy-

3-Methoxyanisole

Benzene, m-dimethoxy-

Dimethyl resorcinol

m-Methoxyanisole

Dimethylresorcinol

m-Dimethoxy benzene

FEMA No. 2385

Dimethylether resorcinolu

m-dimethoxy-benzene

1,3-DIMETHOXY BENZENE

1,3-Dimethoxy-benzene

1,3-DIMETHOXYBENZEN-2,4,5,6-D4

DTXSID2047060

CHEBI:89853

2694Z07HQY

NSC-8699

Methoxyanisole, m-

Dimethylether resorcinolu [Czech]

NSC 8699

EINECS 205-783-4

UNII-2694Z07HQY

AI3-00845

meta-dimethoxybenzene

1,3 dimethoxybenzene

Benzene,3-dimethoxy-

resorcinol dimethylether

m-Phenylenedimethyl Ether

meta-dimethyl hydroquinone

SCHEMBL9350

CHEMBL2252486

DTXCID0027060

SCHEMBL13322163

1,3-Dimethoxybenzene, >=98%

M-DIMETHOXYBENZENE [FHFI]

NSC8699

STR00616

3-METHOXYPHENYL METHYL ETHER

Tox21_302348

MFCD00008384

1,3-Dimethoxybenzene, >=98%, FG

AKOS000120162

CS-W018510

MCULE-9933889768

NCGC00256016-01

1,3-Dimethoxybenzene, analytical standard

CAS-151-10-0

HY-34487

DB-013763

D0628

NS00013171

EN300-16149

A809120

W-108064

Q27162036

F0001-0538

InChI=1/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H

Microorganism:

Yes

IUPAC name

1,3-dimethoxybenzene

SMILES

COC1=CC(=CC=C1)OC

Inchi

InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3

Formula

C₈H₁₀O₂

PubChem ID

9025

Molweight

138.16

LogP

2.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids ethers aromatic compounds

CHEBI-ID

89853

Supernatural-ID

SN0072365

mVOC Specific Details

Boiling Point

Degree	Reference
85 median

MS-Links

MS-MS Spectrum 78393

MS-MS Spectrum 78395

MS-MS Spectrum 138737

MS-MS Spectrum 138735

MS-MS Spectrum 138736

MS-MS Spectrum 78394

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007364

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007446

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009319

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010485

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
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	Aspergillus Versicolor		NA	Sunesson et al. 1995
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Aspergillus Versicolor			no
Eukaryota	Aspergillus Versicolor	DG18	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

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

Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names

1-OCTEN-3-OL

3391-86-4

Oct-1-en-3-ol

1-Vinylhexanol

Vinyl amyl carbinol

3-Hydroxy-1-octene

Amyl vinyl carbinol

Mushroom alcohol

Pentyl vinyl carbinol

Octen-3-ol

Matsuica alcohol

Vinyl hexanol

Pentylvinylcarbinol

octene-1-ol-3

Oct-1-ene-3-ol

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

Matsutake alcohol

1-Okten-3-ol

FEMA No. 2805

n-Oct-1-en-3-ol

NSC 87563

(R)-1-octen-3-ol

WXB511GE38

DTXSID3035214

CHEBI:34118

MFCD00004589

NSC-87563

Amylvinylcarbinol

Morrilol

1-Okten-3-ol [Czech]

1-Octen-3-ol (natural)

Matsutake alcohol [Japanese]

1-Octene-3-ol

dl-1-Octen-3-ol

EINECS 222-226-0

EPA Pesticide Chemical Code 069037

BRN 1744110

UNII-WXB511GE38

Morillol

AI3-28627

CCRIS 8804

Matsuika alcohol

MOGUCHUN

Vinyl pentyl carbinol

(E)-1-octen-3-ol

Flowtron mosquito attractant

SCHEMBL41968

1-Octen-3-ol, 98%

WLN: QY5&1U1

CHEMBL3183573

DTXCID1015214

1-OCTEN-3-OL [FCC]

1-OCTEN-3-OL [FHFI]

1-Octen-3-ol, analytical standard

BCP19092

NSC87563

Tox21_302039

LMFA05000090

LMFA05000712

AKOS009157412

CS-W011126

DS-8600

NCGC00255686-01

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

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

PD042153

CAS-3391-86-4

DB-003193

NS00004677

O0159

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

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

D91822

EN300-6981750

A821997

Q161667

Q-100412

Microorganism:

Yes

IUPAC name

oct-1-en-3-ol

SMILES

CCCCCC(C=C)O

Inchi

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

Formula

C₈H₁₆O

PubChem ID

18827

Molweight

128.21

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

34118

Supernatural-ID

SN0398887

mVOC Specific Details

Boiling Point

Degree	Reference
84 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008207

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Lactobacillus Plantarum		NA	Yang et al. 2022
Eukaryota	Aspergillus Versicolor		wild strains	Schleibinger et al. 2005
Eukaryota	Chaetomium Globosum		wild strains	Schleibinger et al. 2005
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Virens	0	NA	Li et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Trichoderma Virens		NA	Li et al. 2018
Eukaryota	Agaricus Bisporus		culture collection,Mushroom Test and Demonstration Facility (MTDF),Pennsylvania State University Campus	Mau et al. 1992
Eukaryota	Penicillium Glabrum		NA	Schnürer et al. 1999
Eukaryota	Penicillium Verrucosum		NA	Schnürer et al. 1999
Eukaryota	Fusarium Verticillioides		NA	Usseglio et al. 2017
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	Rhizoctonia Solani	directional root growth of Brassica rapa roots	NA	Moisan et al. 2021
Eukaryota	Chaetomium Indicum		NA	Moisan et al. 2021
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Tuber Magnatum		collected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)	Niimi et al. 2021
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
Prokaryota	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Eukaryota	Tuber Indicum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Melanosporum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al. 2012
Eukaryota	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Eukaryota	Neurospora Sp.	n/a	NA	Pastore et al. 1994
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Aspergillus Niger	n/a	NA	Meruva et al. 2004
Eukaryota	Rhizopus Stolonifer	n/a	NA	Meruva et al. 2004
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Agaricus Bisporus	n/a	NA	Berendsen et al. 2013
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Neurospora Sitophila	n/a	NA	Pastore et al. 1994
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Eukaryota	Aspergillus Flavus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Parasiticus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Niger	n/a	NA	Beck et al. 2012
Eukaryota	Penicillium Glabrum	n/a	NA	Beck et al. 2012
Eukaryota	Rhizopus Stolonifer	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Ornatus	n/a	NA	Meruva et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Aspergillus Versicolor		compost	Fischer et al. 1999
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Penicillium Brevicompactum		compost	Fischer et al. 1999
Eukaryota	Coriolus Versicolor		colonized beetle	Guevara et al. 2000
Eukaryota	Ganoderma Adspersum		colonized beetle	Guevara et al. 2000
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Eukaryota	Tricholoma Matsutake		NA	Murahashi S. 1938
Eukaryota	Pleurotus Ostreatus		NA	Beltran-Garcia et al. 1997
Eukaryota	Lentinus Edodes		NA	Zawirksa-Wojtasiak 2004
Eukaryota	Boletus Edulis		NA	Zawirksa-Wojtasiak 2004
Eukaryota	Tuber Indicum		Piedmont northern Italy; Yunnan and Sichuan, China	Splivallo et al. 2007
Eukaryota	Fistulina Hepatica		NA	Wu et al. 2005
Eukaryota	Fomes Fomentarius		NA	Fäldt et al. 1999
Eukaryota	Aspergillus Flavus		Japan Collection of Microorganisms at Riken Bioresource Center	Miyamoto et al. 2014
Eukaryota	Penicillium Sp.		NA	Kaminski et al. 1974
Eukaryota	Fusarium Sp.		NA	Savel’eva et al. 2014
Eukaryota	Verticillium Sp.		NA	Bengtsson et al. 1991
Eukaryota	Trichoderma Sp.		NA	Nemcovic et al. 2008
Eukaryota	Penicillium Polonicum		NA	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus		NA	Polizzi et al. 2012
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Gloeophyllum Odoratum	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Aspergillus Sydowii	na	na	Steiner et al. 2007
Eukaryota	Aspergillus Versicolor	na	na	Steiner et al. 2007
Eukaryota	Penicillium Sp.	n/a	NA	Bjurman et al. 1997
Eukaryota	Tuber Borchii	Aroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinense	na	Splivallo and Ebeler 2015
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Penicillium Chrysogenum	None	None	Meruva et al. 2004
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Eukaryota	Agaricus Bisporus		Sylvan, UK	Combet et al. 2009
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Brettanomyces Bruxellensis	NA	NA	Tran et al. 2022
Eukaryota	Hanseniaspora Valbyensis	NA	NA	Tran et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Loulier et al. 2020
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Microbacterium			Ballot et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

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

Octan-3-one

Mass-Spectra

Compound Details

Synonymous names

3-Octanone

Octan-3-one

106-68-3

Ethyl amyl ketone

Ethyl pentyl ketone

Amyl ethyl ketone

n-Octanone-3

Ethyl n-pentyl ketone

Ethyl n-amyl ketone

3-Oxooctane

3-Octanone (natural)

FEMA No. 2803

Ethyl n-amylketone

n-AMYL ETHYL KETONE

NSC 60161

HSDB 5371

EAK

EINECS 203-423-0

BRN 1700021

CCRIS 8808

DTXSID3041954

CHEBI:80946

AI3-36116

NSC-60161

UNII-79173B4107

OCTANONE, 3-

DTXCID1021954

MFCD00009515

79173B4107

2-Heptanone, methyl-

UN2271

1-ethyl hexanal

3-octanon

octane-3-one

octan-6-one

3-OCTANONE [MI]

3-Octanone, >=98%

SCHEMBL5593

3-OCTANONE [FHFI]

3-OCTANONE [HSDB]

Ethyl amyl ketone [UN2271] [Flammable liquid]

WLN: 5V2

3-Octanone, analytical standard

3-Octanone, >=98%, FG

CHEMBL2269087

FEMA 2803

NSC60161

Tox21_301208

BBL011431

LMFA12000055

STL146538

AKOS005720776

MCULE-2012071553

NCGC00248338-01

NCGC00255105-01

CAS-106-68-3

VS-02948

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

NS00011968

O0122

C17145

EN300-396111

A801482

Ethyl amyl ketone [UN2271] [Flammable liquid]

J-001627

Q18349104

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

Microorganism:

Yes

IUPAC name

octan-3-one

SMILES

CCCCCC(=O)CC

Inchi

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

Formula

C₈H₁₆O

PubChem ID

246728

Molweight

128.21

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

80946

Supernatural-ID

SN0325489

mVOC Specific Details

Boiling Point

Degree	Reference
167.5 °C peer reviewed

Volatilization

The Henry's Law constant for 3-octanone is estimated as 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(1), and water solubility, 2600 mg/L(1). This Henry's Law constant indicates that 3-octanone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 11 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6.8 days(SRC). 3-Octanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-octanone from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 3-octanone is estimated as 58(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-octanone is expected to have high mobility in soil.
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2 mm Hg at 20 deg C	Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976)

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002578

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007037

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Bovis	NA	NA	Küntzel et al. 2018
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Eukaryota	Aspergillus Fumigatus	NA	NA	Bazemore et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Eukaryota	Aspergillus Fumigatus	NA	NA	Perl et al. 2011
Eukaryota	Pythium Oligandrum	N/A	Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.	Sheikh et al. 2023
Eukaryota	Aspergillus Versicolor		wild strains	Schleibinger et al. 2005
Eukaryota	Chaetomium Globosum		wild strains	Schleibinger et al. 2005
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Virens	0	NA	Li et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Trichoderma Virens		NA	Li et al. 2018
Eukaryota	Fusarium Sporotrichioides		NA	Schnürer et al. 1999
Eukaryota	Penicillium Commune		NA	Schnürer et al. 1999
Prokaryota	Pseudomonas Palleroniana		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Arthrobacter Nicotinovorans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Erwinia Persicina		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pantoea Vagans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Serratia Liquefaciens	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Eukaryota	Rhizoctonia Solani	directional root growth of Brassica rapa roots	NA	Moisan et al. 2021
Eukaryota	Trichoderma Asperellum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Cotxarrera et al., 2002	Lazazzara et al. 2021
Eukaryota	Trichoderma Atroviride	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Pertot et al., 2008	Lazazzara et al. 2021
Eukaryota	Trichoderma Harzianum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Eladet al., 1997	Lazazzara et al. 2021
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Eukaryota	Malassezia Globosa		Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)	Rios-Navarro et al. 2023
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Serratia Proteamaculans	n/a	NA	Ercolini et al. 2009
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Borchii	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al. 2012
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Eukaryota	Aspergillus Flavus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Parasiticus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Niger	n/a	NA	Beck et al. 2012
Eukaryota	Penicillium Glabrum	n/a	NA	Beck et al. 2012
Eukaryota	Rhizopus Stolonifer	n/a	NA	Beck et al. 2012
Eukaryota	Tuber Indicum	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism	NA	Splivallo et al. 2007
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Eukaryota	Trichoderma Virens	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei	n/a	NA	Crutcher et al. 2013
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Eukaryota	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Eukaryota	Aspergillus Candidus		compost	Fischer et al. 1999
Eukaryota	Penicillium Corymbiferum		NA	Pierce et al. 1991
Eukaryota	Scopulariopsis Brevicaulis		NA	Pierce et al. 1991
Eukaryota	Fusarium Sp.		NA	Pierce et al. 1991
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Ampelomyces Sp.	na	na	Naznin et al. 2014
Eukaryota	Aspergillus Sydowii	na	na	Steiner et al. 2007
Eukaryota	Aspergillus Versicolor	na	na	Steiner et al. 2007
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Periconia Britannica	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Streptomyces Ciscaucasicus	potentially involved in antifungal activity	NA	Cordovez et al. 2015
Eukaryota	Penicillium Chrysogenum		NA	Meruva et al. 2004
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
Eukaryota	Rhizoctonia Solani		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Eukaryota	Agaricus Bisporus		Sylvan, UK	Combet et al. 2009
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Andauensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Ge et al. 2021
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
Eukaryota	Phytophthora Ramorum	N/A	Phytophthora ramorum	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Fusarium Graminearum			Ballot et al. 2023
	Microbacterium			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Bovis	HEYM	NTD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	Brian aerated	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Eukaryota	Aspergillus Fumigatus	SDA + Elastin	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
Eukaryota	Aspergillus Versicolor	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Chaetomium Globosum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Eurotium Amstelodami	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Penicillium Brevicompactum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Virens	PDA plate	SPME-GC-MS	no
Eukaryota	Fomes Fomentarius		GC-MS (SIM)	yes
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Virens	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Fusarium Sporotrichioides	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Commune	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Pseudomonas Palleroniana	LB media	SPME/GC-MS	no
Prokaryota	Arthrobacter Nicotinovorans	LB media	SPME/GC-MS	no
Prokaryota	Erwinia Persicina	LB media	SPME/GC-MS	no
Prokaryota	Pantoea Vagans	LB media	SPME/GC-MS	no
Prokaryota	Serratia Liquefaciens	LB media	SPME/GC-MS	no
Eukaryota	Rhizoctonia Solani	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, MHB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Eukaryota	Malassezia Globosa	modified Dixon agar	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	n/a	n/a	no
Prokaryota	Serratia Proteamaculans	n/a	n/a	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Tuber Uncinatum	n/a	SPME-GC-MS	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Aspergillus Flavus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Parasiticus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Niger	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Penicillium Glabrum	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Rhizopus Stolonifer	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Prokaryota	Collimonas Pratensis		Headspace trapping/GC-MS	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Eukaryota	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Corymbiferum		GC-FID	yes
Eukaryota	Scopulariopsis Brevicaulis		GC-FID	yes
Eukaryota	Fusarium Sp.		GC-FID	yes
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Ampelomyces Sp.	na	SPME-GC/MS	no
Eukaryota	Aspergillus Sydowii	na	GC/MS	no
Eukaryota	Aspergillus Versicolor	na	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Periconia Britannica	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Prokaryota	Streptomyces Ciscaucasicus	GA-medium	SPME/GC-MS	no
Eukaryota	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	yes
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Eukaryota	Rhizoctonia Solani	Potato Dextrose Agar8	Tenax TA / TDGC-MS	yes
Eukaryota	Agaricus Bisporus	comkposted wheat straw	GC-MS / SPME	yes
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Andauensis	liquid YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	grape juice	LC-15C HPLC	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
Eukaryota	Phytophthora Ramorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

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

6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene

Compound Details

Synonymous names

Daucene

16661-00-0

Dauca-4,8-diene (Daucene)

6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene

1,2,4,5,8,8a-Hexahydro-6,8a-dimethyl-3-isopropylazulene

Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-

6,8a-dimethyl-3-(propan-2-yl)-1,2,4,5,8,8a-hexahydroazulene

DTXSID80937224

MGMBZNCFUFRSSP-UHFFFAOYSA-N

3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene

Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-

Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-

Microorganism:

IUPAC name

6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene

SMILES

CC1=CCC2(CCC(=C2CC1)C(C)C)C

Inchi

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

Formula

C₁₅H₂₄

PubChem ID

177773

Molweight

204.35

LogP

3.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

Supernatural-ID

SN0225027

mVOC Specific Details

Boiling Point

Degree	Reference
275 median

MS-Links

MS-MS Spectrum 161992

MS-MS Spectrum 97300

MS-MS Spectrum 97301

MS-MS Spectrum 161991

MS-MS Spectrum 97299

MS-MS Spectrum 161993

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Gloeophyllum Odoratum	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Gloeophyllum Odoratum	na	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

Mass-Spectra

Compound Details

Synonymous names

Sesquiphellandrene

3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

20307-83-9

3-(1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene

UNII-T636HYS7CY

T636HYS7CY

Sesquiphellandrene, (-)-beta-

.beta.-Sesquiphellandrene

Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, (S-(R*,S*))-

Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]-

(?)-?-Sesquiphellandrene

b-Sesquiphellandrene

beta-sesquiphellanderene

sesquiphellandrene (beta-)

3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)-

DTXSID70864939

PHWISBHSBNDZDX-UHFFFAOYSA-N

DS-001018

NS00124356

3-(1,5-dimethyl-4-hexenyl)-6-methylene-cyclohexene

3-(1,5-Dimethyl-4-hexenyl)-6-methylenecyclohexene, 9CI

3-(6-METHYLHEPT-5-EN-2-YL)-6-METHYLIDENECYCLOHEX-1-ENE

Microorganism:

Yes

IUPAC name

3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

SMILES

CC(CCC=C(C)C)C1CCC(=C)C=C1

Inchi

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3

Formula

C₁₅H₂₄

PubChem ID

519764

Molweight

204.35

LogP

5.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

64361

Supernatural-ID

SN0285867

mVOC Specific Details

Boiling Point

Degree	Reference
270 median

MS-Links

MS-Links

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Calidoustus	NA	NA	Koo et al. 2014
Eukaryota	Candida Albicans		NA	Karami et al. 2017
Prokaryota	Escherichia Coli		NA	Karami et al. 2017
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum		NA	Guo et al. 2019
Eukaryota	Trichoderma Hamatum		NA	Guo et al. 2019
Eukaryota	Trichoderma Virens		NA	Guo et al. 2019
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
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
Prokaryota	Bacillus Atrophaeus		Agriculture University of Nanjing, China	Tahir et al. 2017
Prokaryota	Pseudomonas Fluorescens	na	from geo-authentic Atractylodes lancea	Zhou et al. 2016
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	Trichoderma Atroviride		NA	Stoppacher et al. 2010
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Calidoustus	YPD	TD/GC-MS	no
Eukaryota	Candida Albicans	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Escherichia Coli	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Hamatum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Virens	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Atrophaeus	LB	SPME-GC-MS	no
Prokaryota	Pseudomonas Fluorescens	MS rooting agar	GC/MS + comparison to NIST	no
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	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

(3aS,8aS)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,5,8-hexahydroazulene

Compound Details

Synonymous names

(3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene

azulene, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethylidene)-, (3aS,8aS)-

(+?)-Dauca-4(11),8-diene

Dauca-4(11),8-diene

PRQLWQYYMJZORK-HUUCEWRRSA-N

3-Isopropylidene-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-azulene

(3aS,8aS)-3-isopropylidene-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydroazulene

(3aS,8aS)-6,8a-dimethyl-3-(1-methylethylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene

InChI=1/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,14H,5-6,8-10H2,1-4H3/t14-,15-/m1/s

Microorganism:

IUPAC name

(3aS,8aS)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,5,8-hexahydroazulene

SMILES

CC1=CCC2(CCC(=C(C)C)C2CC1)C

Inchi

InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,14H,5-6,8-10H2,1-4H3/t14-,15-/m1/s1

Formula

C₁₅H₂₄

PubChem ID

641722

Molweight

204.35

LogP

4.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

Supernatural-ID

SN0293387-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no

(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

Compound Details

Synonymous names

(Z)-gamma-bisabolene

gamma-Bisabolene

Bisabolene

cis-gamma-Bisabolene

13062-00-5

Limene

gamma-Bisabolene, (Z)-

gamma-Bisabolene, (4Z)-

UNII-E452K502K0

(Z)-.gamma.-Bisabolene

495-62-5

4-(1,5-Dimethyl-4-hexenylidene)-1-methylcyclohexene

E452K502K0

Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (4Z)-

Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (Z)-

2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (Z)-

Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (4Z)-

cis-.gamma.-Bisabolene

(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

CHEBI:49238

1-Methyl-4-(1,5-dimethyl-4-hexenylidene)-1-cyclohexene

2-Methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-2-heptene

(1Z)-bisabola-1(10),4,7(11)-triene

CYCLOHEXENE, 4-(1,5-DIMETHYL-4-HEXENYLIDENE)-1-METHYL-

(4Z)-1-Methyl-4-(6-methyl-5-hepten-2-ylidene)cyclohexene

(4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene

(Z)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene

(1Z)-bisabola-1(10),4,7(11)-triene (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene

Bisabolene (natural)

gamma-Bisabolen

FEMA No. 3331

EINECS 207-805-8

(Z) gamma-bisabolene

1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene

4-(1,5-Dimethyl-4-hexen-1-ylidene)-1-methylcyclohexene

UNII-E6941S3U3Q

CHEBI:49237

2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-

DTXSID901037003

E6941S3U3Q

.GAMMA.-BISABOLENE, (Z)-

.GAMMA.-BISABOLENE, (4Z)-

bisabola-1(10),4,7(11)-triene

AKOS024287123

LMPR0103060004

B1413

NS00012017

Q4039091

4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene

Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-

Microorganism:

IUPAC name

(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

SMILES

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

Inchi

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+

Formula

C₁₅H₂₄

PubChem ID

3033866

Molweight

204.35

LogP

4.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

49238

Supernatural-ID

SN0425505-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Bazemore et al. 2012
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	SDA + Elastin	TD/GC-MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

Mass-Spectra

Compound Details

Synonymous names

18794-84-8

trans-beta-Farnesene

(E)-beta-farnesene

BETA-FARNESENE

(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene

7,11-Dimethyl-3-methylenedodeca-1,6,10-triene

1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-

b-farnesene

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

trans-B-farnesene

.beta.-Farnesene

77129-48-7

trans-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene

beta-trans-farnesene

(E)-|A-Farnesene

(6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene

1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-

EINECS 278-628-1

E5STW643HU

(6E)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene

DTXSID9047049

MFCD00065433

(E)-.beta.-Farnesene

7,11-Dimethyl-3-methylene-1,6E,10-dodecatriene

7,11-Dimethyl-3-methylene-1,6,10-dodecatriene

UNII-E5STW643HU

trans--Farnesene

b-trans-Farnesene

(e)-b-Farnesene

I(2)-farnesene

EINECS 242-582-0

(6E)-beta-farnesene

trans- beta -Farnesene

(Z,E)-.beta.-Farnesene

EC 242-582-0

FARNESENE, .BETA.-

FARNESENE, TRANS-BETA-

TRANS-.BETA.-FARNESENE

QSPL 026

.BETA.-FARNESENE [MI]

DTXCID7027049

FEMA NO. 4971

CHEBI:10418

CHEBI:39241

JSNRRGGBADWTMC-UHFFFAOYSA-N

HY-N7364

.BETA.-FARNESENE, (6E)-

Tox21_303792

LMFA11000040

AKOS015913412

NCGC00357080-01

trans-beta-Farnesene, analytical standard

BS-53181

CAS-18794-84-8

CS-0113875

FEMA NO. 3839, (6E)-.BETA.-

C09666

1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-

Q27108631

(6E)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene

(E)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene

(E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE

TRANS-.BETA.-FARNESENE (CONSTITUENT OF CHAMOMILE) [DSC]

1207091-65-3

Microorganism:

Yes

IUPAC name

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

SMILES

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

Inchi

InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

Formula

C₁₅H₂₄

PubChem ID

5281517

Molweight

204.35

LogP

6.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

10418

Supernatural-ID

SN0174069-01

mVOC Specific Details

Solubility

3.38e-03 g/l
Literature: ALOGPS

MS-Links

MS-MS Spectrum 148386

MS-MS Spectrum 148387

MS-MS Spectrum 49325

MS-MS Spectrum 148388

MS-MS Spectrum 49324

MS-MS Spectrum 49323

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007578

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009859

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010676

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Oxysporum	0	NA	Li et al. 2018
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Eukaryota	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	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	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Penicillium Decumbens	na	water damaged buildings, Belgium	Polizzi et al. 2012
Eukaryota	Trichoderma Atroviride		NA	Stoppacher et al. 2010
Eukaryota	Aspergillus Fumigatus		compost	Fischer et al. 1999
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	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Oxysporum	PDA plate	SPME-GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	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	Debaryomyces Hansenii	artificial nectar media	GC-MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Penicillium Decumbens	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no

(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

Compound Details

Synonymous names

(E)-gamma-Bisabolene

53585-13-0

gamma-Bisabolene, (E)-

gamma-Bisabolene, (4E)-

UNII-L8M7R52O3B

L8M7R52O3B

(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (E)-

(E)-.gamma.-Bisabolene

Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (4E)-

Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (4E)-

CHEBI:49239

(1E)-bisabola-1(10),4,7(11)-triene

495-62-5

(4E)-1-Methyl-4-(6-methyl-5-hepten-2-ylidene)cyclohexene

(4E)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene

(E)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene

1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene

(1E)-bisabola-1(10),4,7(11)-triene (4E)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene

4-(1,5-Dimethyl-4-hexen-1-ylidene)-1-methylcyclohexene

.gamma.-Bisabolene

(E) gamma-bisabolene

(E)-?-BISABOLENE

(Z)-2,6,10-Bisabolatriene

(z)-laquo gammaRaquo -bisabolene

DTXSID101037435

.GAMMA.-BISABOLENE, (E)-

.GAMMA.-BISABOLENE, (4E)-

LMPR0103060005

C19748

?-Bisabolene (Mixture of Isomers) (Technical Grade)

Q27121554

(4e)-1-methyl-4-(6-methyl-5-hepten-2-yliden)cyclohexene

(4E)-4-(1,5-dimethyl-hex-4-enylidene)-1-methyl-cyclohexene

Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (E)-

11003-31-9

Microorganism:

IUPAC name

(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

SMILES

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

Inchi

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-

Formula

C₁₅H₂₄

PubChem ID

5352437

Molweight

204.35

LogP

4.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

49239

Supernatural-ID

SN0425505-02

mVOC Specific Details

MS-Links

MS-MS Spectrum 45267

MS-MS Spectrum 143810

MS-MS Spectrum 45268

MS-MS Spectrum 45269

MS-MS Spectrum 143809

MS-MS Spectrum 143808

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al. 2012
	Fusarium Graminearum			Ballot et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fischeri	medium 129	CLSA-GCMS	no
Eukaryota	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	no
	Fusarium Graminearum	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no

Results for: Species: Penicillium polonicum Signature

1-ethenyl-4-methoxybenzene

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-ylbenzene

Compound Details

mVOC Specific Details

2-phenylethanol

Compound Details

mVOC Specific Details

(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

Compound Details

mVOC Specific Details

1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

Compound Details

mVOC Specific Details

3-methylbutanoic Acid

Compound Details

mVOC Specific Details

(1S,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene

Compound Details

mVOC Specific Details

Styrene

Compound Details

mVOC Specific Details

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

Compound Details

mVOC Specific Details

1,3-dimethoxybenzene

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

Oct-1-en-3-ol

Compound Details

mVOC Specific Details

Octan-3-one

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-ylidenecyclohexene

Compound Details

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6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene

Compound Details

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3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

Compound Details

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(3aS,8aS)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,5,8-hexahydroazulene

Compound Details

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(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

Compound Details

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(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

Compound Details

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(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

Compound Details

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Results for:
Species: Penicillium polonicum

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