Results for:
Species: Cladosporium cladosporioides

Signature

3-methylfuran

Mass-Spectra

Compound Details

Synonymous names

3-METHYLFURAN

930-27-8

Furan, 3-methyl-

3-methylfurane

3-Methylfuran-methyl-D3

MFCD00060134

5R72A0440N

NSC-346905

3-Methylfuran 100 microg/mL in Methanol

NSC 346905

BRN 0104217

4-methylfuran

UNII-5R72A0440N

3-methyl-furan

3-methylfuran (stabilized with hq)

3-Methylfuran, AldrichCPR

5-17-01-00330 (Beilstein Handbook Reference)

DTXSID10239228

CHEBI:172946

BBL103814

GEO-01834

NSC346905

STL557624

>98.0%(GC) (stabilized with HQ)

AKOS005255084

GS-0656

DB-016017

3-Methylfuran (stabilised with Hydroquinone)

M0939

NS00039517

EN300-88698

W18310

A844425

Q21099678

InChI=1/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H

Microorganism:

Yes

IUPAC name

3-methylfuran

SMILES

CC1=COC=C1

Inchi

InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

Formula

C₅H₆O

PubChem ID

13587

Molweight

82.1

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers heterocyclic compounds furan derivatives

CHEBI-ID

172946

Supernatural-ID

SN0187458

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
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	Aspergillus Flavus		NA	Schnürer et al. 1999
Eukaryota	Penicillium Brevicompactum		NA	Schnürer et al. 1999
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Cladosporium Cladosporioides	na	indoor, outdoor, on a wide range of materials	Sunesson et al. 1995
Eukaryota	Paecilomyces Variotii	na	compost, soils, food products	Sunesson et al. 1995

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
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	Aspergillus Flavus	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Eukaryota	Penicillium Brevicompactum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Penicillium Aurantiogriseum	n/a	n/a	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Penicillium Commune	DG18	GC/MS	no
Eukaryota	Cladosporium Cladosporioides	DG18	GC/MS	no
Eukaryota	Paecilomyces Variotii	DG18,MEA	GC/MS	no

1-phenylethanone

Mass-Spectra

Compound Details

Synonymous names

ACETOPHENONE

98-86-2

1-Phenylethanone

Methyl phenyl ketone

Phenyl methyl ketone

Acetylbenzene

Ethanone, 1-phenyl-

Hypnone

Benzoyl methide

Acetophenon

Acetylbenzol

1-phenylethan-1-one

1-Phenyl-1-ethanone

Benzoylmethide

Acetofenon

Benzene, acetyl-

Ketone, methyl phenyl

Phenylethanone

Hypnon

USAF EK-496

methylphenylketone

phenylmethylketone

RCRA waste number U004

1-phenyl-ethanone

Acetofenon [Czech]

Dymex

NSC 7635

FEMA No. 2009

FEMA Number 2009

CCRIS 1341

HSDB 969

AI3-00575

RCRA waste no. U004

EINECS 202-708-7

UNII-RK493WHV10

RK493WHV10

DTXSID6021828

CHEBI:27632

Ketone, methyl phenyl-

NSC-7635

Acetophenone-alpha-13C

Acetophenone-1,2-13C2

CHEMBL274467

DTXCID501828

EC 202-708-7

Ethanone-2,2,2-d3, 1-(phenyl-d5)-

ACETOPHENONE (II)

ACETOPHENONE [II]

Acetofenona

CAS-98-86-2

MFCD00064447

AC0

(2,2,2,-2H3)ACETOPHENONE

aceto phenone

aceto-phenone

acetyl-benzen

Acetyl-Benzene

alpha-Acetophenone

Ethanone,1-phenyl

methyl-phenyl ketone

Methyl phenyl-Ketone

nchem.180-comp5

Benzoyl methide hypnone

1-Phenylethanone, 9CI

ACETOPHENONE [MI]

SCHEMBL737

ACETOPHENONE [FCC]

bmse000286

ACETOPHENONE [FHFI]

ACETOPHENONE [HSDB]

ACETOPHENONE [INCI]

WLN: 1VR

Acetophenone, >=98%, FG

SCHEMBL8170205

1-Phenylethanone (acetophenone)

SCHEMBL13341485

Acetophenone, analytical standard

FEMA 2009

NSC7635

Acetophenone, >=98.0% (GC)

Acetophenone, natural, 98%, FG

HY-Y0989

STR00017

Tox21_202422

Tox21_300343

Acetophenone, ReagentPlus(R), 99%

BDBM50236986

c0117

MFCD00008724

s5528

AKOS000119011

CCG-266074

DB04619

MCULE-4710225344

USEPA/OPP Pesticide Code: 129033

NCGC00248000-01

NCGC00248000-02

NCGC00254370-01

NCGC00259971-01

SY073923

DB-044220

A0061

CS-0015982

NS00010659

EN300-18050

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

C07113

D71016

A854783

Q375112

J-519533

Z57127548

Acetophenone, TraceCERT(R), certified reference material

InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H

Microorganism:

Yes

IUPAC name

1-phenylethanone

SMILES

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

Inchi

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

Formula

C₈H₈O

PubChem ID

7410

Molweight

120.15

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds aromatic ketones ketones benzenoids

CHEBI-ID

27632

Supernatural-ID

SN0197388

mVOC Specific Details

Boiling Point

Degree	Reference
202.1 °C peer reviewed

Volatilization

The Henry's Law constant for acetophenone was measured as 1.04X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetophenone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 61 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 32 days(SRC). Acetophenone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetophenone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.397 mm Hg(3).
Literature: (1) Betterton EA et al; Atmos Environ 25A: 1473-77 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

The Koc of acetophenone was measured as 10, using an agricultural soil obtained from Northeastern China(1). According to a classification scheme(2), this Koc value suggests that acetophenone is expected to have very high mobility in soil(SRC).
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #The experimental and estimated log Koc for acetophenone in several soils and sediments ranged from 1.34-2.43(1-6,8). These values are indicative of medium to high mobility in soil and low adsorption to sediments(7).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Sabljic A; Enviorn Sci Technol 21: 358-66 (1987) (3) Banwart WL et al; J Environ Sci Health B15: 165-79 (1980) (4) Hodson J, Williams NA; Chemosphere 17: 67-77 (1988) (5) Gerstl Z, Mingelgrin U; J Environ Sci Health B19: 297-312 (1984) (6) Khan A et al; Soil Sci 128: 297-302 (1979) (7) Swann RL et al; Res Rev 85: 17-28 (1983) (8) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986)

Vapor Pressure

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

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Athens_Univ-AU506501

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001491

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001661

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003413

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003538

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007137

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009602

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Acinetobacter Radioresistens		NA	Timm et al. 2018
Prokaryota	Brevibacterium Epidermidis		NA	Timm et al. 2018
Prokaryota	Corynebacterium Xerosis		NA	Timm et al. 2018
Prokaryota	Pseudomonas Aeruginosa		NA	Timm et al. 2018
Prokaryota	Rhodococcus Erythropolis		NA	Timm et al. 2018
Prokaryota	Staphylococcus Epidermidis		NA	Timm et al. 2018
Eukaryota	Hypoxylon Invadens		NA	Dickschat et al. 2018
Prokaryota	Bacillus Subtilis			Zhang et al. 2021
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Pseudomonas Protegens	inhibite the growth of Heterobasidion abietinum 10 and several fungi of different species (Basidiomycete, Ascomycete, Oomycota, Zygomycota)	NA	Prigigallo et al. 2021
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Prokaryota	Stenotrophomonas Maltophilia		clinic	Preti et al. 2009
Eukaryota	Aspergillus Clavatus		NA	Seifert and King 1982
Eukaryota	Mortierella Isabellina		NA	Bengtsson et al. 1991
Eukaryota	Verticillium Bulbillosum		NA	Bengtsson et al. 1991
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Arthrobacter Nicotianae	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Chlororaphis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Providencia Rettgeri	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Eukaryota	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Eukaryota	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Acinetobacter Radioresistens	MOPS glucose	SPME, GC-MS	no
Prokaryota	Acinetobacter Radioresistens	TSA	SPME, GC-MS	no
Prokaryota	Brevibacterium Epidermidis	TSA	SPME, GC-MS	no
Prokaryota	Corynebacterium Xerosis	TSA	SPME, GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSA	SPME, GC-MS	no
Prokaryota	Rhodococcus Erythropolis	TSA	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	MOPS glucose+EZ	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSA	SPME, GC-MS	no
Prokaryota	Staphylococcus Epidermidis	MOPS glucose	SPME, GC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	DYGS media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Protegens	LB agar/PD agar	GC-MS	yes
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Prokaryota	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Clavatus			no
Eukaryota	Mortierella Isabellina			no
Eukaryota	Verticillium Bulbillosum			no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Arthrobacter Nicotianae	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Providencia Rettgeri	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Eukaryota	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Eukaryota	Tuber Borchii	None	None	yes
Eukaryota	Tuber Melanosporum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no

Decane

Mass-Spectra

Compound Details

Synonymous names

DECANE

124-18-5

n-Decane

Nonane, methyl-

NK85062OIY

73138-29-1

DTXSID6024913

CHEBI:41808

NSC-8781

MFCD00008954

Decyl hydride

Decane, analytical standard

DTXCID704913

CAS-124-18-5

D10

HSDB 63

CCRIS 653

NSC 8781

EINECS 204-686-4

UN2247

BRN 1696981

decan

Decane; Cactus Normal Paraffin N 10; NSC 8781; n-Decane

UNII-NK85062OIY

normal-decane

AI3-24107

Decane, n-

Decane, 99%

DECANE [HSDB]

DECANE [INCI]

Decane, >=95%

SYNTSOL LP 10

EC 204-686-4

4-01-00-00464 (Beilstein Handbook Reference)

Decane, anhydrous, >=99%

CHEMBL134537

QSPL 111

WLN: 10H

n-C10H22

NSC8781

Decane, ReagentPlus(R), >=99%

CACTUS NORMAL PARAFFIN N 10

Tox21_201881

Tox21_300336

LMFA11000568

STL280316

Decane, purum, >=95.0% (GC)

Decane, purum, >=98.0% (GC)

AKOS005145676

MCULE-6071426098

n-Decane 1000 microg/mL in Methanol

UN 2247

s11595

Decane, SAJ special grade, >=99.0%

NCGC00247996-01

NCGC00247996-02

NCGC00254283-01

NCGC00259430-01

63335-87-5

LS-13903

n-Decane [UN2247] [Flammable liquid]

DB-089700

DB-307803

D0011

NS00010712

S0282

S0554

EN300-19466

Q150717

J-005051

J-520211

F1908-0171

DBF497D1-4529-4457-841E-9D33CDF22B1C

InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H

116372-01-1

Microorganism:

Yes

IUPAC name

decane

SMILES

CCCCCCCCCC

Inchi

InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

Formula

C₁₀H₂₂

PubChem ID

15600

Molweight

142.28

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

saturated hydrocarbons alkanes

CHEBI-ID

41808

Supernatural-ID

SN0066711

mVOC Specific Details

Boiling Point

Degree	Reference
174.1 °C peer reviewed

Volatilization

The Henry's Law constant for n-decane is estimated as 5.15 atm-cu m/mole(SRC) derived from its vapor pressure, 1.43 mm Hg(1), and water solubility, 0.052 mg/L(2). This Henry's Law constant indicates that n-decane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.7 days(SRC). n-Decane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Decane is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC). Biodegradation studies in soil have observed volatilization to be a more important removal process than biodegradation for n-decane(4,5).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub. Corp. (1989) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 745 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Stronguilo ML et al; Chemosphere 29: 272-81 (1994) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-9 (1993)
Literature: #First-order evaporation constants of n-decane in 3-mm layer No 2 fuel oil, darkened room, wind speed 21 km/hr: at 5 deg C, 1.19X10-3/min; at 10 deg C, 1.87X10-3/min; at 20 deg C, 3.44X10-3/min; at 30 deg C, 6.98X10-3/min
Literature: Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 655

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-decane can be estimated to be 1500(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-decane 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 Nov 9, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 98551

MS-MS Spectrum 163500

MS-MS Spectrum 98552

MS-MS Spectrum 98550

MS-MS Spectrum 163502

MS-MS Spectrum 163501

1D-NMR-Links

1D NMR Spectrum 2207 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2901 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005205

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006876

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007312

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012155

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Fitzgerald et al. 2021
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Pseudomonas Azotoformans	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly 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	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Corrugata	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Aurantiaca	n/a	NA	Fernando et al. 2005
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
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	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Prokaryota	Bacillus Subtilis	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Bacillus Amyloliquefaciens	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Prokaryota	Serratia Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Pantoea Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Pseudomonas Sp.	NA	NA	Etminani et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Saccharomyces Cerevisiae			Qin et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Pseudomonas Azotoformans	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Streptomyces Salmonis	GYM agar	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI media, LB media, MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media, MHB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Pseudomonas Aurantiaca	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	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	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Prokaryota	Bacillus Subtilis	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Murashige and Skoog medium	capillary GC;GC/MS	yes
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Prokaryota	Serratia Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Enterobacter Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Pantoea Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Pseudomonas Sp.	nutrient agar (NA)	GC–MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no

Decanal

Mass-Spectra

Compound Details

Synonymous names

Decanal

Decyl aldehyde

112-31-2

Caprinaldehyde

Capraldehyde

Decanaldehyde

n-Decyl aldehyde

Capric aldehyde

1-Decanal

DECALDEHYDE

n-Decanal

n-Decaldehyde

1-Decyl aldehyde

Aldehyde C10

Decylic aldehyde

Caprinic aldehyde

C-10 aldehyde

Decanal (natural)

FEMA No. 2362

Aldehyde C-10

NSC 6087

HSDB 288

EINECS 203-957-4

UNII-31Z90Q7KQJ

BRN 1362530

31Z90Q7KQJ

DTXSID4021553

CHEBI:31457

AI3-04860

NSC-6087

DTXCID801553

NSC6087

EC 203-957-4

MFCD00007031

112-81-2

DECANAL [FHFI]

DECANAL [INCI]

DECANAL [FCC]

DECALDEHYDE [HSDB]

SCHEMBL2540

WLN: VH9

Decanal, analytical standard

N-decanal (capric aldehyde)

decanal (ACD/Name 4.0)

CHEMBL2228377

KSMVZQYAVGTKIV-UHFFFAOYSA-

Decanal, natural, >=97%, FG

Decanal, >=95%, FCC, FG

Decanal, >=98% (GC), liquid

Tox21_302656

LMFA06000052

s5376

AKOS000120018

CCG-266266

CS-W013286

HY-W012570

NCGC00256769-01

CAS-112-31-2

LS-13888

DB-041074

D0032

NS00003646

EN300-20146

F85622

A802551

Q903525

J-002749

Z104477054

InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

Microorganism:

Yes

IUPAC name

decanal

SMILES

CCCCCCCCCC=O

Inchi

InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

Formula

C₁₀H₂₀O

PubChem ID

8175

Molweight

156.26

LogP

3.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aldehydes

CHEBI-ID

31457

Supernatural-ID

SN0194238

mVOC Specific Details

Boiling Point

Degree	Reference
212 °C peer reviewed

Volatilization

The Henry's Law constant for decaldehyde is 1.8x10-3 atm-cu m/mole(1). This Henry's Law constant indicates that decaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 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). Decaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Decaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Zhou X, Mopper K; Environ Sci Technol 24: 1482-5 (1990) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1989)

Solubility

In water 0.00156 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 739
Literature: #Soluble in ethanol, ether, acetone; slightly soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-142
Literature: #Soluble in 80% alcohol, fixed oils, volatile oils, mineral oil; insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of decaldehyde can be estimated to be 70(SRC). According to a classification scheme(2), this estimated Koc value suggests that decaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 20, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 6463 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 179988

MS-MS Spectrum 6461 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 6462 - EI-B (HP 5970) Positive

MS-MS Spectrum 182324

MS-MS Spectrum 179990

MS-MS Spectrum 6460 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 182323

MS-MS Spectrum 182322

MS-MS Spectrum 179989

1D-NMR-Links

1D NMR Spectrum 2159 - JEOL 400 MHz 1H NMR

1D NMR Spectrum 2846 - 50.18 MHz 13C NMR

1D NMR Spectrum 2048 - Bruker 600 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001485

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008687

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008768

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009328

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Acinetobacter Baumannii	NA	NA	Gao et al. 2016
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Pseudomonas Azotoformans	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Pseudomonas Fragi	n/a	NA	Ercolini et al. 2009
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	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
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
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
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Bacillus Subtilis	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Bacillus Amyloliquefaciens	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Serratia Plymuthica	na	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Paenibacillus Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
	Saccharomyces Cerevisiae			Qin et al. 2024
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Acinetobacter Baumannii	BacT/ALERT SA	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Pseudomonas Azotoformans	MR-VP (Methyl Red-Vogos Proskeur) 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
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	no
Prokaryota	Pseudomonas Fragi	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Prokaryota	Burkholderia Hospita	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract/Low medium	GC/MS	no
Eukaryota	Trichoderma Pseudokoningii	Malt extract/Low medium	GC/MS	no
Eukaryota	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Prokaryota	Bacillus Subtilis	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Paenibacillus Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	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	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
	Saccharomyces Cerevisiae	fermentation of mulberry wine	HS-SPME-GC-MS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no

Oct-1-ene

Mass-Spectra

Compound Details

Synonymous names

1-OCTENE

Oct-1-ene

111-66-0

Caprylene

Octene

n-1-Octene

1-Octylene

Octylene

alpha-Octene

OCTENE-1

1-Caprylene

alpha-Octylene

.alpha.-Octene

.alpha.-Octylene

NSC 8457

Neodene 8

MFCD00009548

E5VK21B9RC

DTXSID6025804

CHEBI:46708

NSC-8457

1-C8H16

1-Octene, 98%

68527-00-4

1-Octene, analytical standard

1-n-octene

26746-84-9

Octene, 1-

HSDB 1084

EINECS 203-893-7

UNII-E5VK21B9RC

Alkenes, C8-9 .alpha.-

AI3-28403

1-?Octene

C8-9 alpha-Alkenes

CAPRYLENE [MI]

OCTENE [INCI]

1-Octene, 97%

SHOP C8

1-OCTENE [FHFI]

1-OCTENE [HSDB]

EC 203-893-7

DTXCID705804

CHEMBL1376677

NSC8457

Tox21_200652

BBL027759

STL372709

AKOS009031490

MCULE-6867393536

1-Octene, purum, >=97.0% (GC)

NCGC00091537-01

NCGC00091537-02

NCGC00258206-01

CAS-111-66-0

VS-08589

DB-040996

NS00007609

O0041

O0251

EN300-19738

D91846

Q161664

J-002614

InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H

Microorganism:

IUPAC name

oct-1-ene

SMILES

CCCCCCC=C

Inchi

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

Formula

C₈H₁₆

PubChem ID

8125

Molweight

112.21

LogP

4.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkenes

CHEBI-ID

46708

Supernatural-ID

SN0197254

mVOC Specific Details

Boiling Point

Degree	Reference
121.2 °C peer reviewed

Volatilization

The Henry's Law constant for 1-octene is estimated as 0.627 atm-cu m/mole(SRC) from its vapor pressure, 17.4 mm Hg(1), and water solubility, 4.1 mg/l(2). This Henry's Law constant indicates that 1-octene 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 3.1 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.2 days(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be 37 hrs ignoring adsorption; when considering maximum adsorption, the volatilization half-life increases to 95 hrs(4). 1-Octene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-octene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 17.4 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressures, Vol 3, C8 to C28 Compound. Houston, TX: Gulf Publ Co. pp. 382-7 (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Data Base of Water Solubility Ver 5, Tuscon, AZ: Univ Arizona, College of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-octene can be estimated to be 510(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-octene is expected to have a low to moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 135957

MS-MS Spectrum 135958

MS-MS Spectrum 135959

MS-MS Spectrum 76183

MS-MS Spectrum 76182

MS-MS Spectrum 76184

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001562

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002114

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006871

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP012214

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Eukaryota	Aspergillus Niger	n/a	NA	Meruva et al. 2004
Eukaryota	Rhizopus Stolonifer	n/a	NA	Meruva et al. 2004
Eukaryota	Aspergillus Ornatus	n/a	NA	Meruva et al. 2004
Eukaryota	Penicillium Chrysogenum	n/a	NA	Meruva et al. 2004
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	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Cladosporium Cladosporioides	na	indoor, outdoor, on a wide range of materials	Sunesson et al. 1995
Eukaryota	Penicillium Chrysogenum	None	None	Meruva et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Eukaryota	Aspergillus Niger	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Rhizopus Stolonifer	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Aspergillus Ornatus	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	no
Eukaryota	Penicillium Chrysogenum	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 Versicolor	DG18	GC/MS	no
Eukaryota	Cladosporium Cladosporioides	DG18	GC/MS	no
Eukaryota	Penicillium Chrysogenum	Tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	yes

Pentan-3-one

Mass-Spectra

Compound Details

Synonymous names

3-PENTANONE

Pentan-3-one

Diethyl ketone

96-22-0

Dimethylacetone

Methacetone

Propione

Ethyl ketone

Metacetone

Diethylcetone

DIETHYLKETONE

Pentanone-3

Ethyl propionyl

NSC 8653

9SLZ98M9NK

DEK

DTXSID6021820

CHEBI:87755

NSC-8653

Diethylcetone [French]

HSDB 5301

EINECS 202-490-3

UN1156

UNII-9SLZ98M9NK

diethylketon

di-ethyl ketone

AI3-24337

3-pentanon

3-penta none

ethyl ethyl ketone

1-pentan-3-one

1,3-Dimethylacetone

3-Pentanone, >=99%

EC 202-490-3

DIETHYL KETONE [MI]

3-PENTANONE [HSDB]

CHEMBL45315

DTXCID301820

WLN: 2V2

(C2H5)2CO

3-Pentanone, analytical standard

3-Pentanone, for HPLC, 96%

NSC8653

AMY11060

Tox21_200677

BBL027755

LMFA12000001

MFCD00009320

STL281851

AKOS000119714

MCULE-8236549739

UN 1156

CAS-96-22-0

3-Pentanone, ReagentPlus(R), >=99%

NCGC00166068-01

NCGC00166068-02

NCGC00258231-01

3-Pentanone 100 microg/mL in Acetonitrile

NS00005016

P0061

EN300-20108

Diethyl ketone [UN1156] [Flammable liquid]

3-Pentanone, ReagentPlus(R), >=99.0% (GC)

A845564

Q223112

F0001-2290

Z104476878

InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H

Microorganism:

Yes

IUPAC name

pentan-3-one

SMILES

CCC(=O)CC

Inchi

InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

Formula

C₅H₁₀O

PubChem ID

7288

Molweight

86.13

LogP

0.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

87755

Supernatural-ID

SN0082847

mVOC Specific Details

Boiling Point

Degree	Reference
101.7 °C peer reviewed

Volatilization

The Henry's Law constant for diethyl ketone is 5.0X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl ketone 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 19 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 8.6 days(SRC). diethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 37.7 mm Hg(3).
Literature: (1) Sander R; Compilation of Henry's Law constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry. (ver. 3) (1999). Available at http://www.henrys-law.org as of Aug 30, 2007. (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY, NY: Hemisphere Pub Corp, (1989)

Soil Adsorption

The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 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: 17-28 (1983)

Vapor Pressure

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

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000266

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001806

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004922

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006445

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Bovis	NA	NA	Küntzel et al. 2018
Prokaryota	Sphingopyxis Litoris		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Serratia Plymuthica	na	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Paenibacillus Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Eukaryota	Cladosporium Cladosporioides	na	indoor, outdoor, on a wide range of materials	Sunesson et al. 1995
Prokaryota	Cyanobacteria Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	n/a	NA	Schulz and Dickschat 2007
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Bovis	HEYM	NTD/GC-MS	no
Prokaryota	Sphingopyxis Litoris	marine broth agar	OSSA/GC-MS	no
Prokaryota	Collimonas Fungivorans		Headspace trapping/GC-MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Paenibacillus Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Eukaryota	Cladosporium Cladosporioides	DG18	GC/MS	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

Nonan-2-one

Mass-Spectra

Compound Details

Synonymous names

2-NONANONE

Nonan-2-one

821-55-6

Heptyl methyl ketone

Methyl heptyl ketone

beta-Nonanone

Ketone, heptyl methyl

METHYL N-HEPTYL KETONE

FEMA No. 2785

.beta.-Nonanone

NSC 14760

MFCD00009553

n-C7H15COCH3

ZE5K73YN2Z

DTXSID2022125

CHEBI:77927

NSC-14760

Methyl heptyl ketone; Methyl n-heptyl ketone; NSC 14760

2-Nonanone (natural)

Nonanone

EINECS 212-480-0

UNII-ZE5K73YN2Z

BRN 1743645

Heptylmethylketone

methylheptyl ketone

2-Nonanone-d5

NONANONE-2

2-NONANONE [FCC]

2-Nonanone, >=99%

2-NONANONE [FHFI]

SCHEMBL103970

SCHEMBL626185

DTXCID002125

SCHEMBL4089642

WLN: 7V1

2-Nonanone, analytical standard

CHEMBL2228473

NSC14760

Tox21_303845

BBL011435

LMFA12000052

STL146543

2-Nonanone, >=99%, FCC, FG

AKOS005720803

MCULE-9635928766

NCGC00357115-01

AS-10570

CAS-821-55-6

SY015805

2-Nonanone, natural, >=97%, FCC, FG

N0293

NS00003042

EN300-19772

A840259

Q15726063

InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H

Microorganism:

Yes

IUPAC name

nonan-2-one

SMILES

CCCCCCCC(=O)C

Inchi

InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3

Formula

C₉H₁₈O

PubChem ID

13187

Molweight

142.24

LogP

3.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

77927

Supernatural-ID

SN0392454

mVOC Specific Details

Boiling Point

Degree	Reference
192 median

MS-Links

MS-MS Spectrum 95110

MS-MS Spectrum 159295

MS-MS Spectrum 159296

MS-MS Spectrum 95111

MS-MS Spectrum 159294

MS-MS Spectrum 95109

1D-NMR-Links

1D NMR Spectrum 3989

1D NMR Spectrum 4274

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000265

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007039

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009759

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Staphylococcus Aureus	NA	NA	Zhu et al. 2010
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Fitzgerald et al. 2021
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Eukaryota	Aspergillus Fumigatus	NA	NA	Neerincx et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Klebsiella Pneumoniae	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Boots et al. 2014
Prokaryota	Pseudomonas Aeruginosa	NA	NA	NA
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Prokaryota	Staphylococcus Aureus	NA	NA	Zechman et al. 1986
Prokaryota	Streptococcus Pneumoniae	NA	NA	Filipiak et al. 2012
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Maddula et al. 2009
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Klebsiella Pneumoniae	NA	NA	Jünger et al. 2012
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	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	Escherichia Coli		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Shigella Flexneri		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Bacillus Sp.		KX395632.1	Fincheira et al. 2017
Prokaryota	Pseudomonas Aeruginosa		NA	Timm et al. 2018
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Staphylococcus Aureus		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Vibrio Parahaemolyticus		China Center of Industrial Culture collection	Wang et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Bacillus Amyloliquefaciens	0	rhizosphere soils of watermelon plants	Wu et al. 2019
Prokaryota	Bacillus Subtilis		soil	Chen et al. 2008
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
Eukaryota	Fusarium Oxysporum		NA	Li et al. 2018
Prokaryota	Klebsiella Pneumoniae		clinical isolate,bacteremic patients	Rees et al. 2017
Prokaryota	Bacillus Subtilis	antifungal activity against Alternaria solani	isolate from rhizosphere of potato in Shandong and Hebei Province in China	Zhang et al. 2020
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Serratia Fonticola	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	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	Microbacterium Paraoxydans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Pantoea Vagans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	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	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 104	NA	Calvo et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 113	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Bacillus Velezensis		NA	Riu et al. 2022
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Carnobacterium Maltaromaticum	n/a	NA	Ercolini et al. 2009
Prokaryota	Carnobacterium Divergens	n/a	NA	Ercolini et al. 2009
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Burkholderia Andropogonis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Anthina	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 Glathei	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Hospita	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phytofirmans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Escherichia Coli	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
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
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Elgaali et al. 2002
Prokaryota	Escherichia Coli	n/a	NA	Siripatrawan et al. 2008
Eukaryota	Trichoderma Atroviride	n/a	NA	Stoppacher et al. 2010
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Citrobacter Freundii		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterobacter Aerogenes		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterobacter Cloacae		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Shigella Sonnei		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Acinetobacter Johnsonii		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Pseudomonas Fluorescens		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Shewanella Putrefaciens		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Lactobacillus Lactis		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptococcus Thermophilus		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Eukaryota	Trichoderma Virens		NA	Crutcher et al. 2013
Eukaryota	Trichoderma Reesei		NA	Crutcher et al. 2013
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Prokaryota	Serratia Liquefaciens	na	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schöller et al. 1997
Prokaryota	Pseudomonas Brassicacearum	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Putida	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Aeruginosa	na	na	Briard et al. 2016
Prokaryota	Pseudomonas Chlororaphis	inhibits growth of Agrobacterium tumefaciens C58, Synechococcus sp. PCC 7942 and Rhizoctonia solani, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al. 2014
Prokaryota	Lactobacillus Rhamnosus	na	na	Pogačić et al. 2016
Prokaryota	Alcaligenes Faecalis	na	na	Su et al. 2016
Prokaryota	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al. 2012
Prokaryota	Burkholderia Cepacia		Rhizosphere	Blom et al. 2011
Eukaryota	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Serratia Sp.	Might be involved in inhibition of fungal growth.	NA	Schulz and Dickschat 2007
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Proteus Hauseri	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015
Eukaryota	Trichoderma Aureoviride	n/a	NA	Bruce et al. 2000
Eukaryota	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
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	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
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Staphylococcus Aureus	TSB	SESI-MS	no
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Eukaryota	Aspergillus Fumigatus	SDB + chloramphenicol	TD/GC-MS	no
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Mueller–Hinton	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	TD/GC-MS	no
Prokaryota	Streptococcus Pneumoniae	Tryptic soya	TD/GC-MS	no
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Neidhardt minimal salt medium	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Klebsiella Pneumoniae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Pseudomonas Aeruginosa	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	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	Escherichia Coli	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Shigella Flexneri	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Bacillus Sp.	Plate Count agar (PCA)	GC–MS	yes
Prokaryota	Bacillus Sp.	Methyl Red & Voges Proskauer broth (MRVP-B)	SPME, GC-MS	yes
Prokaryota	Pseudomonas Aeruginosa	MOPS glucose+EZ	SPME, GC-MS	yes
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Staphylococcus Aureus	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Vibrio Parahaemolyticus	Sodium chloride broth	SPME, GC-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	modified Murashige-Skoog (MS) culture medium	SPME-GC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB)	activated charcoral trap	no
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-GC-MS	no
Eukaryota	Fusarium Oxysporum	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Klebsiella Pneumoniae	BHI, LB, MHB, TSB	SPME / GCxGC-TOFMS	no
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	yes
Prokaryota	Pseudomonas Sp.	DYGS media	HS-SPME/GC-MS	yes
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	yes
Prokaryota	Serratia Fonticola	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media, M+S (Murashige and Skoog) 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	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	TYB media	GC-MS	no
Prokaryota	Microbacterium Paraoxydans	TYB media	GC-MS	no
Prokaryota	Pantoea Vagans	TYB media	GC-MS	no
Prokaryota	Arthrobacter Phenanthrenivorans	TYB media	GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Aureus	BHI media, LB media, MHB media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Bacillus Velezensis	TSA media, sterile soil	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	rocket lysate, spinach lysate	HS-SPME/GC-MS	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Carnobacterium Maltaromaticum	n/a	n/a	no
Prokaryota	Carnobacterium Divergens	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	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	Burkholderia Anthina	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia 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	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Cepacia	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Fungorum	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Gladioli	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Glathei	LB	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, 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	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	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB	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	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia 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	Chromobacterium Violaceum	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Escherichia Coli	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB, 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 Proteamaculans	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	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
Prokaryota	Klebsiella Pneumoniae	TS broth	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	Super broth made up of tryptone, yeast, NaCl	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Prokaryota	Citrobacter Freundii	TS broth	GC-MS SPME	yes
Prokaryota	Enterobacter Aerogenes	TS broth	GC-MS SPME	yes
Prokaryota	Enterobacter Cloacae	TS broth	GC-MS SPME	yes
Prokaryota	Escherichia Coli	TS broth	GC-MS SPME	yes
Prokaryota	Shigella Sonnei	TS broth	GC-MS SPME	yes
Prokaryota	Acinetobacter Johnsonii	TS broth	GC-MS SPME	yes
Prokaryota	Pseudomonas Fluorescens	TS broth	GC-MS SPME	yes
Prokaryota	Shewanella Putrefaciens	TS broth	GC-MS SPME	yes
Prokaryota	Lactobacillus Lactis	TS broth	GC-MS SPME	yes
Prokaryota	Streptococcus Thermophilus	TS broth	GC-MS SPME	yes
Eukaryota	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Eukaryota	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Prokaryota	Serratia Liquefaciens	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Brassicacearum	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Aeruginosa	minimal medium/ Brian medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Chlororaphis	LB medium	SPME-GC/MS	no
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Prokaryota	Alcaligenes Faecalis	LB medium	SPME-GC/MS	no
Prokaryota	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
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 and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	yes
Eukaryota	Tuber Indicum			yes
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Proteus Hauseri	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no
Eukaryota	Trichoderma Aureoviride	low nutrient media (containing phenylalanin)	T. aureoviride was cultured on low nutrient media (LNM) containing phenylalanine. LNM had a carbon:nitrogen ratio similar to that typically found in wood. The cultures were covered and incubated for 7 days at 25Â°C.	no
Eukaryota	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	no
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	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	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
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	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

2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Mass-Spectra

Compound Details

Synonymous names

ALPHA-PINENE

80-56-8

2-Pinene

Acintene A

.alpha.-Pinene

2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

pin-2(3)-ene

Pinene isomer

alfa-Pinene

Sylvapine A

PINENE, ALPHA

(+/-)-alpha-Pinene

(+/-)-2-Pinene

NSC 7727

pin-2-ene

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-

Leavo-95

DTXSID4026501

CHEBI:36740

(+-)-2-pinene

NSC-7727

2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene

PC-500(TERPENE)

FEMA No. 2902

alpha-Pinene (natural)

2437-95-8

FEMA Number 2902

DTXCID006501

4,6,6-Trimethylbicyklo(3,1,1)hept-3-en

2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene

(1R)-(+)-alpha-Pinene

NSC94522

NSC94523

CCRIS 697

PC-500

HSDB 720

NCGC00090682-01

(-)-?-Pinene

DL-Pin-2(3)-ene

EINECS 201-291-9

EINECS 219-445-9

UNII-JPF3YI7O34

BRN 3194807

(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

25766-18-1

AI3-24594

Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl

1S-.alpha.-Pinene

CAS-80-56-8

2,6,6-Trimethylbicyclo(3.1.1)-2-heptene

2,6,6-Trimethylbicyclo[3.1.1]-2-heptene

EC 201-291-9

4-05-00-00456 (Beilstein Handbook Reference)

alphapinene

alpha pinene

an alpha-pinene

Cyclic dexadiene

alpha -pinene

alpha.-pinene

4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

Acitene A

(-)alpha-pinene

Pinene, .alpha.

alpha [D] Pinene

alpha [L] Pinene

AUSTRALENE

(+-)-alpha-pinene

1R-.alpha.-Pinene

2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene

(R)-.alpha.-Pinene

PINENE (ALPHA)

? PINENE

(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene

PINENE, ALPHA (D)

PINENE, ALPHA (L)

Pesticide Code: 067004.

(.+/-.)-.alpha.-Pinene

alpha-PINENE, (+/-)-

CHEMBL442565

NSC7727

alpha-Pinene (+/-)-alpha-Pinene

AMY22338

Tox21_110996

Tox21_200108

Tox21_303385

NSC-94522

NSC-94523

PC 500

AKOS000121239

AB86235

AB86464

AB93066

DB15573

MCULE-3589656574

UN 2368

NCGC00090682-02

NCGC00257379-01

NCGC00257662-01

LS-13835

Trimethyl Bicyclo (3.1.1) hept-2-ene

2,6-Trimethylbicyclo[3.1.1]-2-heptene

DB-017892

Bicyclo[3.1.1]hept-2-ene,6,6-trimethyl-

NS00067073

2,6-Trimethylbicyclo[3.1.1]-2-hept-2-ene

EN300-21685

C09880

A839247

Q-201582

(3Z)-5-METHYL-1H-INDOLE-2,3-DIONE3-OXIME

Q27104380

2,6,6-TRIMETHYLBICYCLO (3.1.1)HEPT-2-ENE, 9CL

BICYCLO(3.1.1)HEPT-2-ENE,2,6,6-TRIMETHYL-2-PINENE

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-

(+/-)-2-Pinene, 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, alpha-Pinene

Microorganism:

Yes

IUPAC name

2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

SMILES

CC1=CCC2CC1C2(C)C

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

6654

Molweight

136.23

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

36740

Supernatural-ID

SN0113697

mVOC Specific Details

Boiling Point

Degree	Reference
156 °C peer reviewed

Volatilization

The Henry's Law constant for alpha-pinene is estimated as 0.29 atm-cu m/mole(SRC) derived from its vapor pressure, 4.75 mm Hg(1), and water solubility, 2.49 mg/L(2). This Henry's Law constant indicates that alpha-pinene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). alpha-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-pinene from dry soil surfaces may exist based upon a vapor pressure of 4.75 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989) (2) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Solubility

ALMOST INSOLUBLE IN PROPYLENE GLYCOL & GLYCERINE
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Literature: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2970
Literature: #In water, 2.49 mg/L at 25 deg C
Literature: Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)

Soil Adsorption

The Koc of alpha-pinene is estimated as 2,600(SRC), using a water solubility of 2.49 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-pinene is expected to have slight mobility in soil.
Literature: (1) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 169227

MS-MS Spectrum 50069

MS-MS Spectrum 169229

MS-MS Spectrum 50067

MS-MS Spectrum 169228

MS-MS Spectrum 50068

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000245

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007117

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS088302

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014
Eukaryota	Aspergillus Fumigatus	NA	NA	Ahmed et al. 2018
Eukaryota	Aspergillus Fumigatus	NA	NA	Koo et al. 2014
Eukaryota	Pythium Oligandrum	N/A	Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.	Sheikh et al. 2023
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Agrocybe Aegerita		France	Breheret et al. 1997
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
Eukaryota	Boletus Aestivalis		France	Breheret et al. 1997
Eukaryota	Cantharellus Cibarius		France	Breheret et al. 1997
Eukaryota	Cortinarius Cinnamomeus		France	Breheret et al. 1997
Eukaryota	Cystoderma Amianthinum		France	Breheret et al. 1997
Eukaryota	Cystoderma Carcharias		France	Breheret et al. 1997
Eukaryota	Gomphidius Glutinosus		France	Breheret et al. 1997
Eukaryota	Hydnum Repandum		France	Breheret et al. 1997
Eukaryota	Hygrophorus Agathosmus		France	Breheret et al. 1997
Eukaryota	Mycena Pura		France	Breheret et al. 1997
Eukaryota	Mycena Rosea		France	Breheret et al. 1997
Eukaryota	Suillus Luteus		France	Breheret et al. 1997
Eukaryota	Tricholoma Caligatum		France	Breheret et al. 1997
Eukaryota	Tricholoma Portentosum		France	Breheret et al. 1997
Eukaryota	Tricholoma Sulphureum		France	Breheret et al. 1997
Prokaryota	Bacillus Muralis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Pumilus	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Novosphingobium Lindaniclasticum	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Amyloliquefaciens	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Megaterium	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
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	Bacillus Amyloliquefaciens		Agriculture University of Nanjing, China	Tahir et al. 2017
Prokaryota	Bacillus Atrophaeus		Agriculture University of Nanjing, China	Tahir et al. 2017
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Eukaryota	Aspergillus Fumigatus		compost	Fischer et al. 1999
Eukaryota	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Antrodia Cinnamomea	na	na	Lu et al. 2014
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Prokaryota	Streptomyces Griseus	n/a	NA	Schulz and Dickschat 2007
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	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Burkholderia Tropica	n/a	NA	Tenorio-Salgado et al. 2013
Eukaryota	Phytophthora Plurivora	N/A	Phytophthora plurivora	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Lactobacillus Plantarum			Zhang et al. 2023
	Kluyveromyces Marxianus			Ji et al. 2024
	Saccharomyces Cerevisiae			Ji et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian	SPME/GC-MS	no
Eukaryota	Aspergillus Fumigatus	AMM	TD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	YPD	TD/GC-MS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	no
Eukaryota	Agrocybe Aegerita	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Boletus Aestivalis	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cantharellus Cibarius	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cortinarius Cinnamomeus	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cystoderma Amianthinum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cystoderma Carcharias	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Gomphidius Glutinosus	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Hydnum Repandum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Hygrophorus Agathosmus	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Mycena Pura	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Mycena Rosea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Suillus Luteus	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Caligatum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Portentosum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Sulphureum	forest soil	solvent extraction, headspace, GCMS	no
Prokaryota	Bacillus Muralis	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Pumilus	NA media	SPME/GC-MS	yes
Prokaryota	Novosphingobium Lindaniclasticum	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Subtilis	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Megaterium	NA media	SPME/GC-MS	yes
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	Bacillus Amyloliquefaciens	LB	SPME-GC-MS	no
Prokaryota	Bacillus Atrophaeus	LB	SPME-GC-MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Eukaryota	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Eukaryota	Mortierella Isabellina		diethyl extraction, GC-MS	no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Eukaryota	Penicillium Commune	DG18	GC/MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Antrodia Cinnamomea	PDA	GC/MS	yes
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Prokaryota	Streptomyces Griseus	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	Phormidium Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Burkholderia Tropica	Potato dextrose agar	Headspace trapping/ GC-MS	no
Eukaryota	Phytophthora Plurivora	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Kluyveromyces Marxianus	Sauce Meat during Storage	SPME–GC–MS	no
	Saccharomyces Cerevisiae	Sauce Meat during Storage	SPME–GC–MS	no

1-methyl-4-prop-1-en-2-ylcyclohexene

Mass-Spectra

Compound Details

Synonymous names

LIMONENE

Dipentene

138-86-3

Cinene

Cajeputene

DL-Limonene

Kautschin

Dipenten

Eulimen

Nesol

p-Mentha-1,8-diene

1,8-p-Menthadiene

Cajeputen

Limonen

Cinen

Inactive limonene

Acintene DP dipentene

(+/-)-Limonene

1-Methyl-4-(1-methylethenyl)cyclohexene

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

Unitene

alpha-Limonene

Flavor orange

Orange flavor

Goldflush II

4-Isopropenyl-1-methylcyclohexene

Acintene DP

4-Isopropenyl-1-methyl-1-cyclohexene

Dipanol

Di-p-mentha-1,8-diene

1,8(9)-p-Menthadiene

d,l-Limonene

Limonene, dl-

7705-14-8

Dipentene 200

(+-)-Dipentene

DL-4-Isopropenyl-1-methylcyclohexene

(+-)-Linonene

Caswell No. 526

delta-1,8-Terpodiene

p-Mentha-1,8-diene, dl-

(+-)-alpha-Limonene

Dipentene, crude

MENTHA-1,8-DIENE (DL)

NSC 21446

PC 560

1-Methyl-4-isopropenyl-1-cyclohexene

Terpodiene

1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

Ciene

1-methyl-4-prop-1-en-2-ylcyclohexene

Cyclil decene

HSDB 1809

Limonene, (+/-)-

NSC 844

Orange x

Dipentene, technical grade

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

.alpha.-Limonene

DIPENTENE (+-)

EINECS 205-341-0

EINECS 231-732-0

1-Methyl-p-isopropenyl-1-cyclohexene

EPA Pesticide Chemical Code 079701

Mentha-1,8-diene

DTXSID2029612

UNII-9MC3I34447

CHEBI:15384

AI3-00739

NSC-844

NSC-21446

(+-)-(RS)-limonene

DL-p-mentha-1,8-diene

Mentha-1,8-diene, DL

.delta.-1,8-Terpodiene

8016-20-4

9MC3I34447

Terpenes and Terpenoids, limonene fraction

Methyl-4-isopropenylcyclohexene

DTXCID209612

NSC844

65996-98-7

(1)-1-Methyl-4-(1-methylvinyl)cyclohexene

1-Methyl-4-isopropenylcyclohexene

Methyl-4-isopropenyl-1-cyclohexene

NSC21446

Methyl-4-(1-methylethenyl)cyclohexene

NCGC00163742-03

4-(1-methylethenyl)-1-methyl-cyclohexene

(+/-)-1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXENE

Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-

Limonene 1000 microg/mL in Isopropanol

CAS-138-86-3

4-mentha-1,8-diene

TERPIN MONOHYDRATE IMPURITY C (EP IMPURITY)

TERPIN MONOHYDRATE IMPURITY C [EP IMPURITY]

Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-

UN2052

Achilles dipentene

Dipentene, tech.

4-isopropenyl-1-methyl-cyclohexene

Nesol/from Table/

c0626

p-Mentha-1, dl-

d(R)-4-Isopropenyl-1-methylcyclohexene

limonene, (+-)-

(.+-.)-Limonene

(.+-.)-Dipentene

p-Menthane/from Table/

4 Mentha 1,8 diene

LIMONENE [HSDB]

LIMONENE [MI]

(.+/-.)-Dipentene

(.+/-.)-Limonene

DIPENTENE [VANDF]

DIPENTEN [WHO-DD]

Cyclohexene, (.+-.)-

Dipentene, p.a., 95%

(+-)-LIMONENE

1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE

p-Mentha-1,8(9)-diene

CHEMBL15799

(.+/-.)-.alpha.-Limonene

(+/-)-p-Mentha-1,8-diene

p-Mentha-1, (.+-.)-

HMS3264E05

Pharmakon1600-00307080

HY-N0544

LIMONENE, (+/-)-(II)

Tox21_112068

Tox21_201818

Tox21_303409

MFCD00062992

NSC757069

STK801934

1-methyl-4-isopropenylcyclohex-1-ene

LIMONENE, (+/-)- [II]

AKOS009031280

Cyclohexene, 4-Isopropenyl-1-methyl-

USEPA/OPP Pesticide Code 079701

WLN: L6UTJ A1 DY1 & U1

CCG-214016

FS-8076

MCULE-2462317444

p-Mentha-1,8-diene, (.+/-.)-

SB44847

UN 2052

NCGC00163742-01

NCGC00163742-02

NCGC00163742-04

NCGC00163742-05

NCGC00257291-01

NCGC00259367-01

turpentine oil terpenes limonene fraction

8050-32-6

NCI60_041856

1-methyl-4-(1-methylethenyl) cylcohexene

1-methyl-4-(prop-1-en-2-yl)cyclohexene

Dipentene [UN2052] [Flammable liquid]

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

DB-053490

DB-072716

CS-0009072

L0046

NS00067923

EN300-21627

C06078

D00194

E88572

AB01563249_01

Q278809

SR-01000872759

CYCLOHEXENE 1-METHYL-4-(1-METHYLETHENYL)-

J-007186

J-520048

SR-01000872759-1

4B4F06FC-8293-455D-8FD5-C970CDB001EE

Dipentene, mixt. of limonene, 56-64%, and terpinolene, 20-25%

1-Methyl-4-(1-methylethenyl)-or 1-methyl-4-isopropenyl-cyclohex-1-ene

555-08-8

65996-99-8

8022-90-0

Microorganism:

Yes

IUPAC name

1-methyl-4-prop-1-en-2-ylcyclohexene

SMILES

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

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

22311

Molweight

136.23

LogP

3.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

15384

Supernatural-ID

SN0434098

mVOC Specific Details

Boiling Point

Degree	Reference
NA °C peer reviewed

Volatilization

Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). The Henry's Law constant for alpha- and beta-pinene have been measured as 0.134 and 0.0679 atm-cu m/mole respectively at 25 deg C(2). These Henry's Law constants indicate that alpha- and beta-pinene are expected to volatilize rapidly from water surfaces(3). Based on these Henry's Law constants, 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 3.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.6 days(SRC). alpha- and beta-Pinene's Henry's Law constants indicate that volatilization from moist soil surfaces may occur(SRC). alpha- and beta-Pinene are expected to volatilize from dry soil surfaces(SRC) based upon respective vapor pressures of 4.75 and 2.93 mm Hg at 25 deg C(1).
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010; Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for limonene is estimated as 0.032 atm-cu m/mole(SRC) derived from its vapor pressure, 1.55 mm Hg(1), and water solubility, 7.57 mg/L(2). This Henry's Law constant indicates that limonene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). Limonene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of limonene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984) (2) Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #The Henry's Law constant for d-limonene is reported as 0.0281 atm-cu m/mole(1). This Henry's Law constant indicates that d-limonene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.6 days(SRC). d-Limonene's reported Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of d-limonene from dry soil surfaces may exist based upon a vapor pressure of 1.98 mm Hg(3).
Literature: (1) Copolovici LO, Niinemets U Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)

Solubility

In water, 0.65 to 2.1 mg/L at 25 deg C /primary pinene constituents of turpentine oil/
Literature: USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf
Literature: #Insol in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #Soluble in 5 volumes alcohol; miscible with benzene, chloroform, ether, carbon disulfide, petroleum ether and oils.
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1822
Literature: #SLIGHTLY SOL IN WATER; SOL IN 3 VOL ALCOHOL; MISCIBLE WITH CARBON DISULFIDE, GLACIAL ACETIC ACID
Literature: The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 883
Literature: #In water, 7.57 mg/L at 25 deg C
Literature: Miller DJ, Hawthorne SB; J Chem Eng Data 44: 315-8 (2000)
Literature: #Miscible with alcohol
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1021
Literature: #Miscible with alcohol, ether.
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2827
Literature: #Slightly soluble in water
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #Soluble in 2 vol 90% alcohol, 1 volume glacial acetic acid; miscible with absolute alcohol, carbon disulfide
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1262
Literature: #In water, 13.8 mg/L at 25 deg C
Literature: Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)
Literature: #Miscible with ethanol and ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338
Literature: #Miscible with fixed oils; slightly soluble in glycerin; insoluble in propylene glycol
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2741

Soil Adsorption

Turpentine typically contains alpha-pinene (59%), beta-pinene (24%) and other isomeric terpenes(1). Using a structure estimation method based on molecular connectivity indices(2), the Koc of alpha- and beta-pinene can be estimated to be 1000(SRC). According to a classification scheme(3), this estimated Koc value suggests that alpha- and beta-pinene are expected to have low mobility in soil.
Literature: (1) USEPA; Screening-Level Hazard Characterization, Bicyclic Terpene Hydrocarbons Category, September 2010. Available from, as of Dec 26, 2014: http://www.epa.gov/chemrtk/hpvis/hazchar/Category_Bicyclic%20Terpene%20Hydrocarbons_%20September_2010.pdf (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Dec 27, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc for limonene can be estimated to be 1,100(SRC). According to a classification scheme(2), this estimated Koc value suggests that limonene is expected to have low mobility in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Using a structure estimation method based on molecular connectivity indices(1), the Koc of d-limonene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that d-limonene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 24, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.25 to 0.67 kPa at 20 deg C (1.9 to 5 mm Hg)	CDC; International Chemical Safety Cards (ICSC) 2012. Turpentine, ICSC 1063. Atlanta, GA: Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health (NIOSH). Ed Info Div. Available from, as of Dec 26, 2014: http://www.cdc.gov/niosh/ipcs/icstart.html
1.55 mm Hg at 25 deg C /extrapolated/	Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
1.98 mm Hg at 25 deg C	Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)

MS-Links

MS-MS Spectrum 76190

MS-MS Spectrum 135964

MS-MS Spectrum 76188

MS-MS Spectrum 135965

MS-MS Spectrum 135963

MS-MS Spectrum 76189

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002318

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Ahmed et al. 2018
Eukaryota	Aspergillus Fumigatus	NA	NA	Koo et al. 2014
Eukaryota	Pythium Oligandrum	Strong inhibition of growth of plant pathogen Pythium myriotylum;	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	Escherichia Coli		NA	Karami et al. 2017
Eukaryota	Aspergillus Clavatus		NA	Dickschat et al. 2018
Eukaryota	Aspergillus Fischeri		NA	Dickschat et al. 2018
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Eukaryota	Amanita Ovoidea		France	Breheret et al. 1997
Eukaryota	Cantharellus Cibarius		France	Breheret et al. 1997
Eukaryota	Clitocybe Odora		France	Breheret et al. 1997
Eukaryota	Cortinarius Cinnamomeus		France	Breheret et al. 1997
Eukaryota	Cystoderma Amianthinum		France	Breheret et al. 1997
Eukaryota	Cystoderma Carcharias		France	Breheret et al. 1997
Eukaryota	Mycena Pura		France	Breheret et al. 1997
Eukaryota	Mycena Rosea		France	Breheret et al. 1997
Eukaryota	Tricholoma Caligatum		France	Breheret et al. 1997
Eukaryota	Tricholoma Sulphureum		France	Breheret et al. 1997
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	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Eukaryota	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 Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Eukaryota	Tuber Brumale		Fortywoodland of the Basilicata region	Mauriello 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	Cladosporium Cladosporioides		NA	Hedlund et al. 1995
Eukaryota	Cladosporium Herbarum		NA	Hedlund et al. 1995
Eukaryota	Penicillium Spinulosum		NA	Hedlund et al. 1995
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Prokaryota	Pseudomonas Brassicacearum	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Eukaryota	Lentinula Edodes	na	na	Çağlarırmak et al. 2007
Prokaryota	Streptomyces Citreus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Calothrix Sp.	n/a	NA	Höckelmann and Jüttner 2004
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
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	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Phormidium Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Tolypothrix Distorta	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al. 2008
Eukaryota	Trichoderma Pseudokoningii	n/a	NA	Wheatley et al. 1997
Eukaryota	Emericella Nidulans		compost	Fischer et al. 1999
Eukaryota	Penicillium Brevicompactum		compost	Fischer et al. 1999
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Eukaryota	Penicillium Glabrum		compost	Fischer et al. 1999
Eukaryota	Penicillium Crustosum		compost	Fischer et al. 1999
Prokaryota	Streptomyces Sp.	na	breathing zone of a waste collection worker	Wilkins 1996
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
	Meyerozyma Guilliermondii			Xiong et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	AMM	TD/GC-MS	no
Eukaryota	Aspergillus Fumigatus	YPD	TD/GC-MS	no
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	yes
Prokaryota	Escherichia Coli	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Eukaryota	Aspergillus Clavatus	medium 129	CLSA-GCMS	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	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cantharellus Cibarius	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Clitocybe Odora	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cortinarius Cinnamomeus	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Cystoderma Amianthinum	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	Mycena Rosea	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Caligatum	forest soil	solvent extraction, headspace, GCMS	no
Eukaryota	Tricholoma Sulphureum	forest soil	solvent extraction, headspace, GCMS	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	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
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 Epidermidis	BHI media	HS-SPME/GC×GC-TOFMS	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Eukaryota	Tuber Brumale		microextraction-gas chromatography-mass spectrometry analysis (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	Cladosporium Cladosporioides		GC-MS	no
Eukaryota	Cladosporium Herbarum		GC-MS	no
Eukaryota	Penicillium Spinulosum		GC-MS	no
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Prokaryota	Pseudomonas Brassicacearum	King's B Agar	SPME-GC/MS	no
Eukaryota	Lentinula Edodes	na	GC/MS	no
Prokaryota	Streptomyces Citreus	n/a	n/a	no
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	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	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Tolypothrix Distorta	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Trichoderma Pseudokoningii	Low medium	GC/MS	no
Eukaryota	Emericella Nidulans	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 Glabrum	yest extract sucrose	Tenax/GC-MS	no
Eukaryota	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Streptomyces Sp.	Nutrient agar CM3 + 50mg/l actidione	GC/MS	no
Prokaryota	Staphylococcus Sciuri	876 liquid medium	SPME-GC/MS	no
Eukaryota	Penicillium Commune	DG18	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no

(3R,3aS,5aR,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Compound Details

Synonymous names

Sesquiterpenes

Microorganism:

IUPAC name

(3R,3aS,5aR,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

SMILES

CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C

Inchi

InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13-,15-/m1/s1

Formula

C₁₅H₁₈O₃

PubChem ID

667450

Molweight

246.3

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes

CHEBI-ID

35189

Supernatural-ID

SN0431706-03

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Cladosporium Cladosporioides	n/a	Landes-Gesundheitsamt Stuttgart, Germany	Matysik et al. 2008
Eukaryota	Penicillium Expansum	n/a	Landes-Gesundheitsamt Stuttgart, Germany	Matysik et al. 2008
Eukaryota	Aspergillus Fumigatus	n/a	Landes-Gesundheitsamt Stuttgart, Germany	Matysik et al. 2008
Eukaryota	Aspergillus Versicolor	n/a	Landes-Gesundheitsamt Stuttgart, Germany	Matysik et al. 2008
Eukaryota	Penicillium Chrysogenum	n/a	Landes-Gesundheitsamt Stuttgart, Germany	Matysik et al. 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Cladosporium Cladosporioides	wett wall paper	n/a	no
Eukaryota	Penicillium Expansum	wett wall paper	n/a	no
Eukaryota	Aspergillus Fumigatus	wett wall paper	n/a	no
Eukaryota	Aspergillus Versicolor	DG 18 agar (dichloran chloramphenicol)	n/a	no
Eukaryota	Penicillium Chrysogenum	DG 18 agar (dichloran chloramphenicol)	n/a	no

Results for: Species: Cladosporium cladosporioides Signature

3-methylfuran

Compound Details

mVOC Specific Details

1-phenylethanone

Compound Details

mVOC Specific Details

Decane

Compound Details

mVOC Specific Details

Decanal

Compound Details

mVOC Specific Details

Oct-1-ene

Compound Details

mVOC Specific Details

Pentan-3-one

Compound Details

mVOC Specific Details

Nonan-2-one

Compound Details

mVOC Specific Details

2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Compound Details

mVOC Specific Details

1-methyl-4-prop-1-en-2-ylcyclohexene

Compound Details

mVOC Specific Details

(3R,3aS,5aR,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Compound Details

mVOC Specific Details

Results for:
Species: Cladosporium cladosporioides

Signature