Results for:
Species: Streptomyces griseus subsp. griseus DSM 40236

Signature

2-methylbuta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names

Isopentadiene

isoterpene

Chlorinated natural rubber

beta-Methylbivinyl

isopreno

ISOPRENE

RRHGJUQNOFWUDK-UHFFFAOYSA-N

Isopren

Polyisoprene, chlorinated

2-Methylbutadiene

Isoprene, analytical standard

2-Methyldivinyl

Isoprene, inhibited

AC1L1MSM

ISOPRENE, REAG

AC1Q1J4I

AC1Q1J4J

.beta.-Methylbivinyl

ACMC-209slm

NSC9237

7380AF

UN1218

Isoprene, >=99%

HSDB 620

I0160

I0772

CTK2H7308

RL05044

CH2=C(CH3)CH=CH2

CCRIS 6253

C16521

bmse000844

DSSTox_CID_761

0A62964IBU

LTBB001094

LS-1754

DTXSID2020761

NSC 9237

NSC-9237

OR000132

OR098975

OR327531

OR341562

CHEMBL1566132

UNII-0A62964IBU

ZINC1699876

CHEBI:35194

ANW-41336

DSSTox_GSID_20761

AN-42118

WLN: 1UY1&1U1

KB-52802

TRA0042245

DSSTox_RID_75776

MFCD00008600

TR-037841

3-Methyl-1,3-butadiene

2-Methylbuta-1,3-diene

2-Methyl-1,3-butadiene

RTR-037841

J-509898

AKOS000119971

FT-0627457

I14-49147

I14-19787

78-79-5

Tox21_200067

2-methyl-buta-1,3-diene

3B1-007327

CAS-78-79-5

NCGC00257621-01

NCGC00091078-02

NCGC00091078-01

1,3-Butadiene, 2-methyl-

EINECS 201-143-3

Isoprene, 99%, stabilized 100ml

UN 1218 (Salt/Mix)

68441-58-7

78006-92-5

954-EP2301924A1

954-EP2272935A1

954-EP2272843A1

1,3-Butadiene, 2-methyl-, homopolymer

954-EP2374781A1

954-EP2374780A1

954-EP2305825A1

954-EP2305668A1

954-EP2277945A1

954-EP2298313A1

954-EP2275427A1

954-EP2281817A1

954-EP2270113A1

954-EP2270101A1

823271-95-0

Isoprene, inhibited [UN1218] [Flammable liquid]

1,3-Butadiene, 2-methyl-, homopolymer, chlorinated

3-BUTENYL, 2-METHYLENE-(8CI,9CI)

Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor

Isoprene, inhibited [UN1218] [Flammable liquid]

InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H

Microorganism:

Yes

IUPAC name

2-methylbuta-1,3-diene

SMILES

CC(=C)C=C

Inchi

InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

Formula

C₅H₈

PubChem ID

6557

Molweight

68.119

LogP

1.88

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes

mVOC Specific Details

Volatilization

The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene 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 2.4 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)(3) is estimated as 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (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
550 mm Hg at 25 deg C	Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971)

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Fungi	Tuber Borchii	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	AMI 386	protection against heat stress, stabilizes cell membranes in response to heat stress	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Enterobacter Cloacae SM 639	protection against heat stress, stabilizes cell membranes in response to heat stress	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pseudomonas Aeruginosa ATCC 10145	protection against heat stress, stabilizes cell membranes in response to heat stress	soil, water, skin flora	Schoeller et al., 1997
Bacteria	Pseudomonas Fluorescens R2F	protection against heat stress, stabilizes cell membranes in response to heat stress	soil, water, plants	Schoeller et al., 1997
Bacteria	Pseudomonas Putida KT 2442	protection against heat stress, stabilizes cell membranes in response to heat stress	na	Schoeller et al., 1997
Bacteria	Pseudonocardia Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Pseudonocardia Thermophila DSM 43832	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Saccharomonospora Rectivirgula DSM 43113	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Saccharomonospora Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Saccharomonospora Viridis DSM 43017	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Serratia Liquefaciens SM 1302	protection against heat stress, stabilizes cell membranes in response to heat stress	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schoeller et al., 1997
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Thermoactinomyces Vulgaris DSM 43016	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Thermomonospora Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pseudomonas Aeruginosa ATCC 10145	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Fluorescens R2F	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Bacteria	Pseudonocardia Sp.	n/a	n/a
Bacteria	Pseudonocardia Thermophila DSM 43832	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Sp.	n/a	n/a
Bacteria	Saccharomonospora Viridis DSM 43017	Nutrient agar CM3	GC/MS
Bacteria	Serratia Liquefaciens SM 1302	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus ETH 22014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor ATCC 21666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp. AMI 243	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Thermoactinomyces Spp.	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Sp.	n/a	n/a
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1640	SPME / GC-MS

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

Mass-Spectra

Compound Details

Synonymous names

Phosphosulfurized alpha-pinene

ALPHA-PINENEPOLYMER

alphapinene

GRWFGVWFFZKLTI-UHFFFAOYSA-N

Cyclic dexadiene

alpha-Pinene, phosphosulfurized

Pinene isomer

alpha pinene

ALPHA-PINENE

Sylvapine A

Acintene A

Acitene A

Wilt Pruf

Alpha Pinene PF

DL-ALPHA-PINENE

2-Pinene

PINENE, ALPHA

1R-alpha-Pinene

AC1L1N0D

alpha-pinene, pinene

alpha-Pinene(dextro)

1R-a-Pinene

.alpha.-Pinene

alpha-Pinene (natural)

NSC7727

pin-2-ene

UN2368

CCRIS 697

CTK5E7908

HMDB06525

HSDB 720

CHEMBL442565

NSC94522

NSC94523

PC 500

alpha [D] Pinene

alpha [L] Pinene

C09880

BT000143

DTXSID4026501

FEMA Number 2902

LS-2348

NSC 7727

NSC-7727

OR038360

OR246844

OR249294

Pinene, .alpha.

SBB060477

UN 2368

1R-.alpha.-Pinene

1S-.alpha.-Pinene

CHEBI:36740

DSSTox_CID_6501

AN-19420

AN-19426

AN-42193

DSSTox_GSID_26501

NSC-94522

NSC-94523

SC-18193

DSSTox_RID_78126

PINENE, ALPHA (D)

PINENE, ALPHA (L)

AI3-24594

ST51046656

AKOS000121239

Q-201582

(+)-a-Pinene

BRN 3194807

FEMA No. 2902

FT-0604379

FT-0604414

FT-0622197

FT-0698080

pin-2(3)-ene

(R)-.alpha.-Pinene

80-56-8

(+-)-alpha-pinene

Tox21_110996

Tox21_200108

Tox21_303385

1R-(+)-alpha-pinene

alpha-Pinene, phosphorus pentasulfide reaction product (4:1)

DL-Pin-2(3)-ene

CAS-80-56-8

1R-(+)-a-pinene

MCULE-3589656574

NCGC00090682-01

NCGC00090682-02

NCGC00257379-01

NCGC00257662-01

(+-)-2-pinene

(+/-)-alpha-Pinene

EINECS 201-291-9

EINECS 219-445-9

EINECS 267-032-7

25766-18-1

39388-04-0

39423-40-0

50815-61-7

53569-35-0

56833-58-0

57762-87-5

67762-73-6

68411-25-6

72510-05-5

102640-64-2

103657-08-5

459844-87-2

alpha-Pinene [UN2368] [Flammable liquid]

(+/-)-2-Pinene

MolPort-003-926-536

(1R)-(+)-a-Pinene

(+)-Pin-2(3)-ene

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

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

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

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

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

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

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

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

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

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

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

2-Pinene, (1S,5S)-(-)-

2,6,6-Trimethyl bicyclo-(3,1,1)-2 heptene

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

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

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

4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]

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

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

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

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

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

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

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

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

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

Microorganism:

Yes

IUPAC name

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

136.238

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Alkenes Bicyclo

mVOC Specific Details

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

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens FZB42		Agriculture University of Nanjing, China	Tahir et al. 2018
Bacteria	Bacillus Artrophaeus LSSC22		Agriculture University of Nanjing, China	Tahir et al. 2031
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Fungi	Antrodia Cinnamomea ATCC 200183	na	na	Lu et al., 2014
Fungi	Aspergillus Fumigatus		compost	Fischer et al. 2045
Fungi	Cladosporium Cladosporiodes			Hedlund et al 1995
Fungi	Cladosporium Herbarum			Hedlund et al 1995
Fungi	Fomitopsis Pinicola	na	Germany	RÃ¶secke et al., 2000
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Spinulosum			Hedlund et al 1995
Fungi	Piptoporus Betulinus	na	Sachsenwald near Hamburg	RÃ¶secke et al., 2000
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Mix Of Bacteria(Serratia Proteamaculans 42M	n/a		Ercolini et al., 2009
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Streptomyces Griseus	n/a		Schulz and Dickschat, 2007
Fungi	Agrocybe Aegerita		France	Breheret et al. 1997
Fungi	Amanita Ovoidea		France	Breheret et al. 1997
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014
Fungi	Boletus Aestivalis		France	Breheret et al. 1997
Fungi	Cantharellus Cibarius		France	Breheret et al. 1997
Fungi	Cortinarius Cinnamomeus		France	Breheret et al. 1997
Fungi	Cystoderma Amianthinum		France	Breheret et al. 1997
Fungi	Cystoderma Carcharias		France	Breheret et al. 1997
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_9	n/a		Busko et al., 2014
Fungi	Gomphidius Glutinosus		France	Breheret et al. 1997
Fungi	Hydnum Repandum		France	Breheret et al. 1997
Fungi	Hygrophorus Agathosmus		France	Breheret et al. 1997
Fungi	Mycena Pura		France	Breheret et al. 1997
Fungi	Mycena Rosea		France	Breheret et al. 1997
Fungi	Suillus Luteus		France	Breheret et al. 1997
Fungi	Tricholoma Caligatum		France	Breheret et al. 1997
Fungi	Tricholoma Portentosum		France	Breheret et al. 1997
Fungi	Tricholoma Sulfureum		France	Breheret et al. 1997
Bacteria	Burkholderia Tropica MTo431	n/a		Tenorio-Salgado et al., 2013
Bacteria	Escherichia Coli MG1655			Bokinsky et al., 2011
Fungi	Tuber Magnatum	n/a	Italian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)	Gioacchini et al., 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens FZB42	LB	SPME-GC-MS	no
Bacteria	Bacillus Artrophaeus LSSC22	LB	SPME-GC-MS	no
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Fungi	Antrodia Cinnamomea ATCC 200183	PDA	GC/MS	Yes
Fungi	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Cladosporium Cladosporiodes		GC-MS	no
Fungi	Cladosporium Herbarum		GC-MS	no
Fungi	Fomitopsis Pinicola	na	GC/MS	No
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Mortierella Isabellina		diethyl extraction, GC-MS	no
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Penicillium Spinulosum		GC-MS	no
Fungi	Piptoporus Betulinus	na	GC/MS	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Mix Of Bacteria(Serratia Proteamaculans 42M	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Streptomyces Griseus	n/a	n/a
Fungi	Agrocybe Aegerita	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1642	SPME / GC-MS
Fungi	Boletus Aestivalis	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Cantharellus Cibarius	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Cortinarius Cinnamomeus	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Cystoderma Amianthinum	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Cystoderma Carcharias	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Gomphidius Glutinosus	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Hydnum Repandum	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Hygrophorus Agathosmus	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Mycena Pura	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Mycena Rosea	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Suillus Luteus	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Tricholoma Caligatum	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Tricholoma Portentosum	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Tricholoma Sulfureum	forest soil	solvent extraction, headspace, GCMS	no
Bacteria	Burkholderia Tropica MTo431	Potato dextrose agar	Headspace trapping/ GC-MS
Bacteria	Escherichia Coli MG1655	Luria-Bertani (LB)
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names

Methyldisulfanylmethane

Methyldithiomethane

dimethyldisulphide

Dimethyldisulfide

methyldisulfanyl methane

Methyldisulfide

Dimethyl disulphide

WQOXQRCZOLPYPM-UHFFFAOYSA-N

Dimethyl disulfide

methyl disulphide

Disulfide dimethyl

METHYL DISULFIDE

(Methyldisulfanyl)methane

DMDS

Sulfa-hitech

Dimethyl disulfide, analytical standard

(Methyldithio)methane

(Methyldisulfanyl)methane #

Disulfide, dimethyl

AC1Q4HER

AC1Q4HEQ

1,2-Dimethyldisulfane

PubChem9665

Dimethyl disulfide, >=99%

AC1L1Z53

2,3-Dithiabutane

Dimethyl disulfide, 99%

NSC9370

UN2381

Dimethyl disulfide, 98%

HMDB05879

D0714

CTK2F3131

RP18575

CHEBI:4608

CCRIS 2939

C08371

BDBM233038

Methyl disulfide (8CI)

WLN: 1SS1

3P8D642K5E

HSDB 6400

LS-1499

DTXSID4025117

NSC 9370

NSC-9370

OR000230

OR291634

CHEMBL1347061

Sulfa-hitech 0382

UN 2381

(1/4)x>>u paragraph signthornAoAN

(CH3S)2

UNII-3P8D642K5E

ZINC8221057

A833808

Dimethyl disulfide, >=99.0%

DSSTox_CID_5117

KB-76616

AN-22028

TL8004165

Dimethyl disulfide, >=98%, FG

DSSTox_GSID_25117

DSSTox_RID_77673

MFCD00008561

AI3-25305

TR-021489

RTR-021489

I09-0129

Q-100719

AKOS009157459

FEMA No. 3536

FT-0625135

METHYL, [(THIOMETHYL)THIO]-

Dimethyl disulfide, natural, >=98%, FG

EN300-36043

Tox21_201525

F0001-1676

624-92-0

NCGC00259075-01

NCGC00091798-02

NCGC00091798-01

MCULE-7451882535

EINECS 272-923-9

CAS-624-92-0

Dimethyl disulfide [UN2381] [Flammable liquid]

EINECS 210-871-0

Dimethyl disulfide [UN2381] [Flammable liquid]

MolPort-003-929-787

Dimethyl disulfide, purum, >=98.0% (GC)

224638-EP2371831A1

InChI=1/C2H6S2/c1-3-4-2/h1-2H

Microorganism:

Yes

IUPAC name

(methyldisulfanyl)methane

SMILES

CSSC

Inchi

InChI=1S/C2H6S2/c1-3-4-2/h1-2H3

Formula

C₂H₆S₂

PubChem ID

12232

Molweight

94.19

LogP

1.35

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Sulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization

The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide 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 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)

Vapor Pressure

Pressure	Reference
28.7 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.

MS-Links

MS-MS Spectrum 65042

MS-MS Spectrum 65041

MS-MS Spectrum 122360

MS-MS Spectrum 65040

MS-MS Spectrum 122359

MS-MS Spectrum 122358

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Streptomyces Alboflavus TD-1	n/a		Wang et al., 2013
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Actinomycetes Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Aeromonas Veronii	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Alcaligenes Faecalis	n/a		Zou et al., 2007
Bacteria	Alcaligenes Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Arthrobacter Nicotianae JQ071518	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Arthrobacter Nitroguajacolius	n/a		Zou et al., 2007
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Cereus ATCC 14570		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
Bacteria	Bacillus Polymyxa ATCC 842		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
Bacteria	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenazinium LMG 2247	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Sacchari LMG 19450	n/a		Blom et al., 2011
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica MTo431	n/a		Tenorio-Salgado et al., 2013
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Chryseobacterium Sp. AD48	na	na	Tyc et al., 2015
Bacteria	Citrobacter Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Cupriavidus Necator LMG 1199	n/a		Blom et al., 2011
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141	n/a		Dickschat et al., 2005_3
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146	n/a		Dickschat et al., 2005_3
Bacteria	Dyella Sp. AD56	na	na	Tyc et al., 2015
Bacteria	Enterobacter Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Enterococcus Durans ATCC 19432		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
Bacteria	Enterococcus Faecium ATCC 19434		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
Bacteria	Escherichia Coli	n/a		Siripatrawan et al., 2008
Bacteria	Escherichia Coli ATCC15547		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
Bacteria	Janthinobacterium Sp. AD80	na	na	Tyc et al., 2015
Bacteria	Klebsiella Oxytoca	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Klebsiella Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Brevis	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Hilgardii	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Lactis ATCC 11955		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
Bacteria	Lactobacillus Plantarum	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactococcus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Leuconostoc Mesenteroides ATCC 8086		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
Bacteria	Leuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products		PogaÄiÄ‡ et al., 2015
Bacteria	Limnobacter Thiooxidans LMG 19593	n/a		Blom et al., 2011
Bacteria	Lysobacter Gummosus	n/a		Zou et al., 2007
Bacteria	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Oenococcus Oeni	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudomonas Aeruginosa PA01	na	na	Briard et al., 2016
Bacteria	Pseudomonas Aeruginosa PUPa3	n/a		Blom et al., 2011
Bacteria	Pseudomonas Chlororaphis 450	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014
Bacteria	Pseudomonas Chlororaphis R47	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Fluorescens R76	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Pseudomonas Frederiksbergensis S04	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Frederiksbergensis S24	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Jessenii S34	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Pseudomonas Putida USB2105	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
Bacteria	Pseudomonas Putida USB2106	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
Bacteria	Pseudomonas Syringae S22	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Tolaasii NCPPB 2192	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB1	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB66	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Veronii R02	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Vranovensis R01	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudonocardia Thermophila DSM 43832	na	soil	Wilkins, 1996
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Saccharomonospora Viridis DSM 43017	na	soil	Wilkins, 1996
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica 4Rx13	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica AS9	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica PRI-2C	stimulates growth of Pseudomonas fluorescens Pf0-1	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans 94	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	spoiled meat	Popova et al., 2014
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Serratia Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Sporosarcina Ginsengisoli	n/a		Zou et al., 2007
Bacteria	Staphylococcus Aureus	n/a		Elgaali et al., 2002
Bacteria	Stenotrophomonas Maltophilia	n/a		Zou et al., 2007
Bacteria	Streptococcus Agalactiae ATCC 27541		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
Bacteria	Streptococcus Thermophilus ATCC 14485		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
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Bacteria	Tsukamurella Sp. AD106	na	na	Tyc et al., 2015
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Fusarium Sp.			Brock et al. 2012
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Sp.			Larsen 1999
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	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
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Bacteria	Alcaligenes Faecalis YMF3Â·00172	na	na	Su et al., 2016
Bacteria	Bacillus Cereus YMF3Â·00019	na	na	Su et al., 2016
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	na	na	Su et al., 2016
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Leuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250	na	Cantal cheese	PogaÄiÄ‡ et al., 2016
Bacteria	Proteus Penneri YMF3Â·00016	na	na	Su et al., 2016
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Providencia Rettgeri YMF3Â·00150	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Pseudomonas Aeruginosa ATCC 10145	na	soil, water, skin flora	Schoeller et al., 1997
Bacteria	Pseudomonas Fluorescens R2F	na	soil, water, plants	Schoeller et al., 1997
Bacteria	Pseudomonas Putida KT 2442	na	na	Schoeller et al., 1997
Bacteria	Serratia Liquefaciens SM 1302	na	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schoeller et al., 1997
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al., 2014
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Pseudomonas Aeruginosa		clinic	Preti., 2009
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Clavigerum		compost	Fischer et al. 2067
Fungi	Tuber Magnatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.
Bacteria	Pseudomonas Putida BP25R	positive influence of the plant root growth and protection against soil-borne pathogens		Sheoran et al., 2015
Bacteria	Pseudomonas Putida BP25	na	black pepper root	Sheoran et al., 2015
Fungi	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
Fungi	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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Streptomyces Alboflavus TD-1	Gause's synthetic medium	Headspace, solid-phase microextraction
Bacteria	Achromobacter Xylosoxidans AF411019	LB liquid	SPME-GC/MS
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Aeromonas Veronii	n/a	n/a
Bacteria	Alcaligenes Faecalis	n/a	n/a
Bacteria	Alcaligenes Spp.	n/a	n/a
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Arthrobacter Nicotianae JQ071518	LB liquid	SPME-GC/MS
Bacteria	Arthrobacter Nitroguajacolius	n/a	n/a
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Cereus ATCC 14570	TS broth	GC-MS SPME	yes
Bacteria	Bacillus Polymyxa ATCC 842	TS broth	GC-MS SPME	yes
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Burkholderia Caribensis LMG 18531	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 6993	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenazinium LMG 2247	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenoliruptrix LMG 22037	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sacchari LMG 19450	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Burkholderia Terricola LMG 20594	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica MTo431	Potato dextrose agar	Headspace trapping/ GC-MS
Bacteria	Burkholderia Xenovorans LMG 21463	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chryseobacterium Sp. AD48	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Citrobacter Sp.	n/a	n/a
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Cupriavidus Necator LMG 1199	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141	n/a	n/a
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146	n/a	n/a
Bacteria	Dyella Sp. AD56	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Enterobacter Spp.	n/a	n/a
Bacteria	Enterococcus Durans ATCC 19432	TS broth	GC-MS SPME	yes
Bacteria	Enterococcus Faecium ATCC 19434	TS broth	GC-MS SPME	yes
Bacteria	Escherichia Coli	Super broth made up of tryptone, yeast, NaCl	HS-SPME/GC-MS
Bacteria	Escherichia Coli ATCC15547	TS broth	GC-MS Super Q	no
Bacteria	Janthinobacterium Sp. AD80	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Klebsiella Oxytoca	n/a	n/a
Bacteria	Klebsiella Sp.	n/a	n/a
Bacteria	Lactobacillus Brevis	n/a	n/a
Bacteria	Lactobacillus Hilgardii	n/a	n/a
Bacteria	Lactobacillus Lactis ATCC 11955	TS broth	GC-MS SPME	yes
Bacteria	Lactobacillus Plantarum	n/a	n/a
Bacteria	Lactobacillus Sp.	n/a	n/a
Bacteria	Lactococcus Sp.	n/a	n/a
Bacteria	Leuconostoc Mesenteroides ATCC 8086	TS broth	GC-MS SPME	yes
Bacteria	Leuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250	Man Rogosa Sharpe broth (MRS)	Tenaxâ„¢-trap/GC-MS
Bacteria	Limnobacter Thiooxidans LMG 19593	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Lysobacter Gummosus	n/a	n/a
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Oenococcus Oeni	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Bacteria	Pandoraea Norimbergensis LMG 18379	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Proteus Hauseri JN092591	LB liquid	SPME-GC/MS
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	LB liquid	SPME-GC/MS
Bacteria	Pseudomonas Aeruginosa PA01	minimal medium/ Brian medium	SPME-GC/MS	No
Bacteria	Pseudomonas Aeruginosa PUPa3	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Chlororaphis 450	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Chlororaphis R47	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Fluorescens R76	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Fluorescens WCS 417r	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Frederiksbergensis S04	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Frederiksbergensis S24	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Jessenii S34	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS
Bacteria	Pseudomonas Putida ISOf	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Putida USB2105	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Putida USB2106	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Syringae S22	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Tolaasii NCPPB 2192	KB	SPME-GC
Bacteria	Pseudomonas Tolaasii USB1	KB	SPME-GC
Bacteria	Pseudomonas Tolaasii USB66	KB	SPME-GC
Bacteria	Pseudomonas Veronii R02	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Vranovensis R01	LB medium	GC/MS	Yes
Bacteria	Pseudonocardia Thermophila DSM 43832	Nutrient agar CM3	GC/MS
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Viridis DSM 43017	Nutrient agar CM3	GC/MS
Bacteria	Serratia Entomophilia A1MO2	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Serratia Marcescens MG1	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica 4Rx13	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica AS9	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica HRO-C48	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans 94	LB medium	SPME-GC/MS	No
Bacteria	Serratia Proteamaculans B5a	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Sp.	n/a	n/a
Bacteria	Sporosarcina Ginsengisoli	n/a	n/a
Bacteria	Staphylococcus Aureus	TS broth	HS-SPME/GC-MS
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptococcus Agalactiae ATCC 27541	TS broth	GC-MS SPME	yes
Bacteria	Streptococcus Thermophilus ATCC 14485	TS broth	GC-MS SPME	yes
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus IFO 13014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus ETH 22014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor ATCC 21666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Lateritius	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 6445	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp. AMI 243	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Bacteria	Tsukamurella Sp. AD106	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Fusarium Sp.			no
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Fungi	Penicillium Sp.			no
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Bacteria	Alcaligenes Faecalis YMF3Â·00172	LB medium	SPME-GC/MS	No
Bacteria	Bacillus Cereus YMF3Â·00019	LB medium	SPME-GC/MS	No
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	LB medium	SPME-GC/MS	No
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Escherichia Coli	tryptone, yeast extract	GC-MS (SPB-5)	no
Bacteria	Leuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250	curd-based broth medium	GC/MS	Yes
Bacteria	Proteus Penneri YMF3Â·00016	LB medium	SPME-GC/MS	No
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Providencia Rettgeri YMF3Â·00150	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Aeruginosa ATCC 10145	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Fluorescens R2F	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Bacteria	Serratia Liquefaciens SM 1302	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus	TS broth	GC-FID	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Pseudomonas Aeruginosa	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no
Bacteria	Pseudomonas Putida BP25R	TSB	Propak Q adsorbent trap/GC-MS
Bacteria	Pseudomonas Putida BP25	Luria Bertani Agar	Headspace GC/MS	No
Fungi	Tuber Borchii	None	None	Yes
Fungi	Tuber Melanosporum	None	None	Yes

6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

Mass-Spectra

Compound Details

Synonymous names

Pseudopinene

Terebenthene

Pseudopinen

Terbenthene

Nopinene

Rosemarel

WTARULDDTDQWMU-UHFFFAOYSA-N

Nopinen

beta-Pinene homopolymer

beta pinene

BETA-PINENE

ss-Pinene

AC1Q2AIT

B-pinene

beta-Pinene resin

PINENE, BETA

AC1L24RF

I943

Piccolyte 115

.beta.-Pinene

beta-Pinene (natural)

P0441

6,6-Dimethyl-2-methylenenorpinane

CHEMBL501351

laevo-.beta.-Pinene

NSC21447

NSC59190

Beta Pinene 95 PF

Beta Pinene PF 85%

Beta Pinene PF 95%

Beta Pinene T 85%

Beta Pinene T 95%

C09882

HSDB 5615

AK113983

BT000141

DTXSID7027049

Jsp001748

L-.beta.-Pinene

LS-3052

NSC406265

OR025387

OR211823

OR213994

SBB061306

CHEBI:50025

DSSTox_CID_7049

( inverted exclamation markA)-b-pinene

6,6-dimethyl-2-methylene-norpinane

AB1006761

AN-18767

AN-23009

DSSTox_GSID_27049

EBD2156726

NSC 21447

NSC-21447

NSC-59190

SC-48739

D-alpha-PINENE, 95%

DSSTox_RID_78293

2(10)-Pinene

AI3-24483

NSC-406265

ST50330587

AKOS004119987

(-)-b-Pinene

4CH-024531

FEMA No. 2903

FT-0604382

FT-0622936

I14-45220

Pin-2(10)-ene

Tox21_200029

127-91-3

9081-94-1

NCGC00248498-01

NCGC00257583-01

(-)-.beta.-Pinene

CAS-127-91-3

EINECS 204-872-5

EINECS 245-424-9

25719-60-2

37203-45-5

39475-62-2

50922-56-0

51273-99-5

55963-81-0

55963-82-1

59828-47-6

59828-48-7

60976-31-0

211108-08-6

(+)-I(2)-Pinene

MolPort-004-956-468

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane

(1S)-(-)-b-Pinene

(-)-2(10)-Pinene

Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-

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

6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane

(-)-Pin-2(10)-ene

.beta.-Pinene-(1S)-(-)

(1S)-(-)-.beta.-Pinene

(1S,5S)-2-(10)-Pinene

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

Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-

(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane

BICYCLO(3.1.1)HEPTANE, 6,6-DIMETHYL-2-METHYLENE-, HOMOPOLYMER

(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1] heptane

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-

2(10)-Pinene, (1S,5S)-(-)-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-

Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-

2(10)-Pinene; 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane; Pin-2(10)-ene

Microorganism:

Yes

IUPAC name

6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

SMILES

CC1(C2CCC(=C)C1C2)C

Inchi

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

Formula

C₁₀H₁₆

PubChem ID

14896

Molweight

136.238

LogP

2.86

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Ketones Bicyclo Alkane

mVOC Specific Details

Boiling Point

Degree	Reference
166 deg C	Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436

Volatilization

The Henry's Law constant for beta-pinene is estimated as 0.16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that beta-pinene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). beta-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 340 days when adsorption is considered(3). beta-Pinene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.93 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

Solubility

ALMOST INSOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Soluble in benzene, ethanol and ethyl ether
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Literature: #Soluble in alcohol and chloroform
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1283
Literature: #In water, 4.89 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Sept 24, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Soil Adsorption

The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Literature: The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.

Vapor Pressure

Pressure	Reference
2.93 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

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Antrodia Cinnamomea ATCC 200183	na	na	Lu et al., 2014
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Streptococcus Mutans DSM 20523	as a biomarker for a breath test for detection of caries		Hertel et al., 2015
Bacteria	Streptomyces Griseus	n/a		Schulz and Dickschat, 2007
Fungi	Amanita Ovoidea		France	Breheret et al. 1997
Fungi	Gomphidius Glutinosus		France	Breheret et al. 1997
Fungi	Mycena Pura		France	Breheret et al. 1997
Fungi	Suillus Luteus		France	Breheret et al. 1997
Fungi	Tricholoma Caligatum		France	Breheret et al. 1997

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Antrodia Cinnamomea ATCC 200183	PDA	GC/MS	Yes
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Streptococcus Mutans DSM 20523	Brain-Heart-Infusion agar	Tenaxâ„¢-trap/GC-MS
Bacteria	Streptomyces Griseus	n/a	n/a
Fungi	Amanita Ovoidea	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Gomphidius Glutinosus	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Mycena Pura	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Suillus Luteus	forest soil	solvent extraction, headspace, GCMS	no
Fungi	Tricholoma Caligatum	forest soil	solvent extraction, headspace, GCMS	no

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

Mass-Spectra

Compound Details

Synonymous names

LFYXNXGVLGKVCJ-UHFFFAOYSA-N

2-METHYLISOBORNEOL

2-methyl-isoborneol

AC1L28XX

SCHEMBL50282

ACMC-20n4fu

2-Methyl-2-bornanol

CCRIS 6593

OR116942

OR221823

PL000982

2-exo-Hydroxy-2-methyl-bornan

LS-188264

FT-0613061

2-Bornanol, 2-methyl-

2371-42-8

91278-70-5

95097-54-4

27695-81-4

18680-50-7

145164-18-7

1071630-41-5

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

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

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

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

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

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

Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1S,2R,4S)-

Microorganism:

Yes

IUPAC name

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

SMILES

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

Inchi

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

Formula

C₁₁H₂₀O

PubChem ID

16913

Molweight

168.28

LogP

2.27

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Bicyclo Alcohols Terpene

mVOC Specific Details

MS-Links

MS-MS Spectrum 112693

MS-MS Spectrum 50140

MS-MS Spectrum 50141

MS-MS Spectrum 50139

MS-MS Spectrum 112692

MS-MS Spectrum 112694

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Actinomycetes Spp.	n/a		Dickschat et al., 2007
Bacteria	Cyanobacteria	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na E485	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na EB37	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007
Bacteria	Streptomyces Lavendulae	n/a		Dickschat et al., 2007
Fungi	Aspergillus Niger			SchnÃ¼rer et al. 1999
Fungi	Penicillium Solitum			SchnÃ¼rer et al. 1999
Bacteria	Actinobacteria Sp.	n/a		Stahl and Parkin, 1976
Bacteria	Actinomycetes Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Cyanobacteria	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Chalybea	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Stigmatella Aurantiaca	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.
Bacteria	Streptomyces Alboflavus TD-1	n/a		Wang et al., 2013
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Fungi	Aspergillus Niger			Priegnitz et al. 2015
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Sp.			Larsen and Frisvad 1995
Fungi	Streptomyces Sp.			Medsker et al. 1969

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Nannocystis Exedens Na E485	n/a	n/a
Bacteria	Nannocystis Exedens Na EB37	n/a	n/a
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a
Bacteria	Streptomyces Lavendulae	n/a	n/a
Fungi	Aspergillus Niger	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Penicillium Solitum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Bacteria	Actinobacteria Sp.	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Oscillatoria Chalybea	n/a	n/a
Bacteria	Oscillatoria Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca	n/a	n/a
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no
Bacteria	Streptomyces Alboflavus TD-1	Gause's synthetic medium	Headspace, solid-phase microextraction
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Fungi	Aspergillus Niger			no
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Sp.			no
Fungi	Streptomyces Sp.			no

(methyltrisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names

methylsulfanyldisulfanyl-methane

dimethyltrisulfane

DIMETHYLTRISULFIDE

Dimethyl trisulfide

Dimethyl trisulphide

(methyltrisulfanyl)methane

YWHLKYXPLRWGSE-UHFFFAOYSA-N

Methyl trisulfide

Dimethyl trisulfide, analytical standard

DMTS

Trisulfide, dimethyl

CH3SSSCH3

trisulfane, dimethyl-

AC1L2DW2

ACMC-1CKK0

2,4-Trithiapentane

KSC223A3D

1,3-Dimethyltrisulfane #

CTK1C3031

D3418

SCHEMBL446658

NSC97324

Methyl trisulfide (8CI)

3E691T3NL1

C08372

CHEBI:4614

2,3,4-Trithiapentane

OR352850

OR022978

DTXSID9063118

Jsp006510

A823301

ZINC4097550

UNII-3E691T3NL1

AN-20923

CJ-11315

CC-26995

Dimethyl trisulfide, >=98%, FG

TRA0026026

ANW-28444

NSC-97324

NSC 97324

FCH1116209

MFCD00039808

C-34424

ZINC04097550

RT-000574

AI3-26172

DB-003633

AKOS015897465

I09-0152

Q-100435

FEMA No. 3275

3658-80-8

EINECS 222-910-9

85931-54-0

MolPort-003-939-109

InChI=1/C2H6S3/c1-3-5-4-2/h1-2H

Microorganism:

Yes

IUPAC name

(methyltrisulfanyl)methane

SMILES

CSSSC

Inchi

InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3

Formula

C₂H₆S₃

PubChem ID

19310

Molweight

126.25

LogP

1.94

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Sulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 155616

MS-MS Spectrum 49154

MS-MS Spectrum 155618

MS-MS Spectrum 155617

MS-MS Spectrum 49152

MS-MS Spectrum 49153

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Actinomycetes Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Cereus B-569	n/a		Blom et al., 2011
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Burkholderia Ambifaria LMG 17828	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19467	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Anthina LMG 20980	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222 358		Rhizosphere	Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glathei LMG 14190	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Kururiensis LMG 19447	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Phytofirmans LMG 22487	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Chryseobacterium Sp. AD48	inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin production	na	Tyc et al., 2015
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Cupriavidus Necator LMG 1199	n/a		Blom et al., 2011
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141	n/a		Dickschat et al., 2005_3
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146	n/a		Dickschat et al., 2005_3
Bacteria	Dinoroseobacter Shibae Strain DFL-27	n/a		Dickschat et al., 2005_4
Bacteria	Dyella Sp. AD56	inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin production	na	Tyc et al., 2015
Bacteria	Enterococcus Durans ATCC 19432		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
Bacteria	Klebsiella Oxytoca	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Lactis ATCC 11955		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
Bacteria	Lactobacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Lactococcus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Leuconostoc Mesenteroides ATCC 8086		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
Bacteria	Leuconostoc Mesenteroides Subsp. Cremoris CIRM1303	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products		PogaÄiÄ‡ et al., 2015
Bacteria	Listeria Monocytogenes ATCC 19115		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
Bacteria	Listeria Monocytogenes ATCC 43256		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
Bacteria	Loktanella Sp. Bio-204	n/a		Dickschat et al., 2005_4
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Aeruginosa PUPa3	n/a		Blom et al., 2011
Bacteria	Pseudomonas Aurantiaca	Inhibition of mycelium growth and spore germination		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis	Inhibition of mycelium growth and spore germination		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis R47	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Corrugate	Inhibition of mycelium growth and spore germination		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens	Inhibition of mycelium growth and spore germination		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens R76	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Frederiksbergensis S04	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Frederiksbergensis S24	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Jessenii S34	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973
Bacteria	Pseudomonas Putida BP25	na	black pepper root	Sheoran et al., 2015
Bacteria	Pseudomonas Putida BP25R	positive influence of the plant root growth and protection against soil-borne pathogens		Sheoran et al., 2015
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Pseudomonas Putida USB2105	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
Bacteria	Pseudomonas Putida USB2106	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
Bacteria	Pseudomonas Syringae S22	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Veronii R02	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Vranovensis R01	na	rhizosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudonocardia Thermophila DSM 43832	na	soil	Wilkins, 1996
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Saccharomonospora Viridis DSM 43017	na	soil	Wilkins, 1996
Bacteria	Salinispora Tropica CNB-440	na	marine sediment	Groenhagen et al., 2016
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens Db11	n/a		Weise et al., 2014
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica 4Rx13	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica AS9	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Shewanella Algae YM8	inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidia	sea sediment in east China coast	Gong et al., 2015
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Streptococcus Thermophilus ATCC 14485		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
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	This compound is assumed to have an antagonistic effect against sapstain fungi.		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Bacteria	Tsukamurella Sp. AD106	inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin production	na	Tyc et al., 2015
Bacteria	Urkholderia Phenoliruptrix LMG 22037		Rhizosphere	Blom et al., 2011
Fungi	Fusarium Sp.			Dickschat et a
Fungi	Penicillium Sp.			Citron et al. 2012
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Borchii	Aroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatum	na	Splivallo and Ebeler 2015
Fungi	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
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Leuconostoc Mesenteroides Subsp. Cremoris CIRM1303	na	goat cheese	PogaÄiÄ‡ et al., 2016
Bacteria	Pseudomonas Aeruginosa ATCC 10145	na	soil, water, skin flora	Schoeller et al., 1997
Bacteria	Pseudomonas Putida KT 2442	na	na	Schoeller et al., 1997
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2004
Fungi	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
Fungi	Tuber Magnatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Cereus B-569	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Burkholderia Ambifaria LMG 17828	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19182	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19467	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Anthina LMG 20980	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222 358	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Bacteria	Burkholderia Fungorum LMG 16225	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glathei LMG 14190	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Kururiensis LMG 19447	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 6993	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenoliruptrix LMG 22037	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phytofirmans LMG 22487	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Burkholderia Xenovorans LMG 21463	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chryseobacterium Sp. AD48	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Cupriavidus Necator LMG 1199	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141	n/a	n/a
Bacteria	Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146	n/a	n/a
Bacteria	Dinoroseobacter Shibae Strain DFL-27	n/a	n/a
Bacteria	Dyella Sp. AD56	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Enterococcus Durans ATCC 19432	TS broth	GC-MS SPME	yes
Bacteria	Klebsiella Oxytoca	n/a	n/a
Bacteria	Lactobacillus Lactis ATCC 11955	TS broth	GC-MS SPME	yes
Bacteria	Lactobacillus Sp.	n/a	n/a
Bacteria	Lactococcus Sp.	n/a	n/a
Bacteria	Leuconostoc Mesenteroides ATCC 8086	TS broth	GC-MS SPME	yes
Bacteria	Leuconostoc Mesenteroides Subsp. Cremoris CIRM1303	Man Rogosa Sharpe broth (MRS)	Tenaxâ„¢-trap/GC-MS
Bacteria	Listeria Monocytogenes ATCC 19115	TS broth	GC-MS SPME	yes
Bacteria	Listeria Monocytogenes ATCC 43256	TS broth	GC-MS SPME	yes
Bacteria	Loktanella Sp. Bio-204	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Bacteria	Pandoraea Norimbergensis LMG 18379	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Aeruginosa PUPa3	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Aurantiaca	n/a	n/a
Bacteria	Pseudomonas Chlororaphis	n/a	n/a
Bacteria	Pseudomonas Chlororaphis R47	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Corrugate	n/a	n/a
Bacteria	Pseudomonas Fluorescens	n/a	n/a
Bacteria	Pseudomonas Fluorescens R76	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Frederiksbergensis S04	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Frederiksbergensis S24	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Jessenii S34	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS
Bacteria	Pseudomonas Putida BP25	Luria Bertani Agar	Headspace GC/MS	No
Bacteria	Pseudomonas Putida BP25R	TSB	Propak Q adsorbent trap/GC-MS
Bacteria	Pseudomonas Putida ISOf	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Putida USB2105	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Putida USB2106	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Syringae S22	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Veronii R02	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Vranovensis R01	LB medium	GC/MS	Yes
Bacteria	Pseudonocardia Thermophila DSM 43832	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Viridis DSM 43017	Nutrient agar CM3	GC/MS
Bacteria	Salinispora Tropica CNB-440	seawater-based A1	GC/MS
Bacteria	Serratia Entomophilia A1MO2	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens Db11	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Marcescens MG1	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica 4Rx13	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica AS9	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica HRO-C48	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Sp.	n/a	n/a
Bacteria	Shewanella Algae YM8	NA medium	SPME-GC/MS	Yes
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Streptococcus Thermophilus ATCC 14485	TS broth	GC-MS SPME	yes
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	n/a	n/a
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a	n/a
Bacteria	Streptomyces Antibioticus ETH 22014	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a	n/a
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Rishiriensis AMI 224	n/a	n/a
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Spp. AMI 243	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Bacteria	Tsukamurella Sp. AD106	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Urkholderia Phenoliruptrix LMG 22037	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Fungi	Fusarium Sp.			no
Fungi	Penicillium Sp.			no
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Leuconostoc Mesenteroides Subsp. Cremoris CIRM1303	curd-based broth medium	GC/MS	Yes
Bacteria	Pseudomonas Aeruginosa ATCC 10145	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Myxobacterium Spp.	n/a	n/a
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum			Yes

S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names

Methanethiol butyrate

Methyl thiobutanoate

Methyl thiolbutyrate

GRLJIIJNZJVMGP-UHFFFAOYSA-N

Methane n-thiolbutyrate

Methanethiol n-butyrate

S-Methyl butanethioate

S-Methyl thiobutyrate

Butanethioic acid,S-methyl ester

S-Methyl butanethioate #

Thiobutyric Acid S-Methyl Ester

AC1L1X4T

Methyl thiobutyrate (natural)

BUTANETHIOIC ACID, S-METHYL ESTER

ACMC-209gaw

M1818

CTK4F3391

2P1E432MYZ

SCHEMBL722981

S-Methyl thiobutanoate, 98%

UNII-2P1E432MYZ

ZINC409240

ZB013888

S-(methyl thio) butyrate

DTXSID5047669

OR012310

CHEBI:89255

1-(methylsulfanyl)butan-1-one

ACM2432511

AN-20806

ANW-25398

Methyl thiobutyrate, >=97%, FG

FCH3464393

MFCD00009872

ZINC00409240

TC-114143

LS-179173

Q-100312

AKOS015950859

J-800454

FEMA No. 3310

Methyl thiobutyrate, natural, 98%, FG

Butyric acid, thio-, S-methyl ester

2432-51-1

EINECS 219-407-1

MolPort-003-929-056

Microorganism:

Yes

IUPAC name

S-methyl butanethioate

SMILES

CCCC(=O)SC

Inchi

InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3

Formula

C₅H₁₀OS

PubChem ID

62444

Molweight

118.19

LogP

1.82

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Thioesters sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 138249

MS-MS Spectrum 138251

MS-MS Spectrum 78002

MS-MS Spectrum 138250

MS-MS Spectrum 78000

MS-MS Spectrum 78001

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Alcaligenes Faecalis YMF3Â·00172	na	na	Su et al., 2016
Bacteria	Bacillus Cereus YMF3Â·00019	na	na	Su et al., 2016
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	na	na	Su et al., 2016
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Proteus Penneri YMF3Â·00016	na	na	Su et al., 2016
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Providencia Rettgeri YMF3Â·00150	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Pseudomonas Syringae S22	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Arthrobacter Nicotianae JQ071518	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Brevibacterium Linens	n/a		Schulz and Dickschat, 2007
Bacteria	Lactococcus Lactis	n/a		Schulz and Dickschat, 2007
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Streptomyces Albidoflavus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Griseus	n/a		Schulz and Dickschat, 2007
Bacteria	Thermomonospora Fusca	n/a		Schulz and Dickschat, 2007
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Alcaligenes Faecalis YMF3Â·00172	LB medium	SPME-GC/MS	No
Bacteria	Bacillus Cereus YMF3Â·00019	LB medium	SPME-GC/MS	No
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	LB medium	SPME-GC/MS	No
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Proteus Penneri YMF3Â·00016	LB medium	SPME-GC/MS	No
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Providencia Rettgeri YMF3Â·00150	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Syringae S22	LB medium	GC/MS	Yes
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Bacteria	Achromobacter Xylosoxidans AF411019	LB liquid	SPME-GC/MS
Bacteria	Arthrobacter Nicotianae JQ071518	LB liquid	SPME-GC/MS
Bacteria	Brevibacterium Linens	n/a	n/a
Bacteria	Lactococcus Lactis	n/a	n/a
Bacteria	Proteus Hauseri JN092591	LB liquid	SPME-GC/MS
Bacteria	Pseudochrobactrum Saccharolyticum AM180484	LB liquid	SPME-GC/MS
Bacteria	Streptomyces Albidoflavus	n/a	n/a
Bacteria	Streptomyces Griseus	n/a	n/a
Bacteria	Thermomonospora Fusca	n/a	n/a
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS

S-methyl Ethanethioate

Compound Details

Synonymous names

Methylthioacetate

Methyl thiolacetate

Methanethiol acetate

methyl ethanethioate

S-METHYLTHIOACETATE

OATSQCXMYKYFQO-UHFFFAOYSA-N

S-Methyl ethanethioate

S-Methyl thioacetate

AC1L2KFM

S-Methyl thioacetate, AldrichCPR

S-Methyl ethanethioate #

Thioacetic acid S-methyl ester

Ethanethioic acid, methyl ester

AC1Q68RR

ACMC-1BTZ5

PF2D4MWX79

KSC493A2H

Ethanethioic acid, S-methyl ester

UNII-PF2D4MWX79

M2286

CTK3J3023

CH3C(O)SCH3

FCH918358

OR031401

OR224946

OR224947

DTXSID3073264

ZINC2004049

CHEBI:51280

CJ-07327

1-(methylsulfanyl)ethan-1-one

AB1006061

AN-49402

CJ-30959

ZINC02004049

MFCD00014989

Ethanethioic acid,S-methyl ester (9CI)

RT-001199

Q-100182

I09-0174

AKOS006229807

FT-0659567

Acetic acid, thio-, S-methyl ester

S-Methyl thioacetate, natural, >=96%, FG

1534-08-3

EINECS 216-252-1

MolPort-006-113-372

InChI=1/C3H6OS/c1-3(4)5-2/h1-2H

Microorganism:

Yes

IUPAC name

S-methyl ethanethioate

SMILES

CC(=O)SC

Inchi

InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3

Formula

C₃H₆OS

PubChem ID

73750

Molweight

90.14

LogP

0.68

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Thioesters Ester sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 132934

MS-MS Spectrum 132935

MS-MS Spectrum 132933

MS-MS Spectrum 73704

MS-MS Spectrum 73705

MS-MS Spectrum 73706

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Bacteria	Chryseobacterium Sp. AD48	na	na	Tyc et al., 2015
Bacteria	Janthinobacterium Sp. AD80	na	na	Tyc et al., 2015
Bacteria	Pseudomonas Chlororaphis 450	na	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Brevibacterium Linens	n/a		Schulz and Dickschat, 2007
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Lactococcus Lactis	n/a		Schulz and Dickschat, 2007
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Streptomyces Albidoflavus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Clostridium Difficile R002	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R005	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R013	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R014/R020	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R026	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R027	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R078	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R087	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R107	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus IFO 13014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Chryseobacterium Sp. AD48	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Janthinobacterium Sp. AD80	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Pseudomonas Chlororaphis 450	LB medium	SPME-GC/MS	No
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Brevibacterium Linens	n/a	n/a
Bacteria	Collimonas Fungivorans Ter331		Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Bacteria	Lactococcus Lactis	n/a	n/a
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Streptomyces Albidoflavus	n/a	n/a
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Clostridium Difficile R002	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R005	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R013	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R014/R020	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R026	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R027	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R078	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R087	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R107	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No

(methyltetrasulfanyl)methane

Compound Details

Synonymous names

methyldisulfanyldisulfanyl-methane

dimethyltetrasulfane

Dimethyl pertetrasulfide

Dimethyl tetrasulphide

Dimethyl tetrasulfide

(methyltetrasulfanyl)methane

NPNIZCVKXVRCHF-UHFFFAOYSA-N

Tetrasulfide, dimethyl

1,4-Dimethyltetrasulfane

1,4-Dimethyltetrasulfide

AC1L2Y8C

AC1Q7ED4

1,4-Dimethyltetrasulfane #

CTK1G9074

SCHEMBL565279

DTXSID0063997

OR287835

OR041598

AM806645

A831505

KB-50078

AN-19149

C-51300

I09-0133

AKOS006282487

5756-24-1

EINECS 227-278-8

85931-55-1

Microorganism:

Yes

IUPAC name

(methyltetrasulfanyl)methane

SMILES

CSSSSC

Inchi

InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3

Formula

C₂H₆S₄

PubChem ID

79828

Molweight

158.31

LogP

2.54

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Sulfides thioethers sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 182106

MS-MS Spectrum 182108

MS-MS Spectrum 182107

MS-MS Spectrum 179774

MS-MS Spectrum 179773

MS-MS Spectrum 179772

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Myxococcus Xanthus	n/a		Schulz and Dickschat, 2007
Bacteria	Pseudomonas Frederiksbergensis S04	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Streptomyces Caviscabies	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Tsukamurella Sp. AD106	na	na	Tyc et al., 2015
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2004
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Myxococcus Xanthus	n/a	n/a
Bacteria	Pseudomonas Frederiksbergensis S04	LB medium	GC/MS	Yes
Bacteria	Streptomyces Caviscabies	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Tsukamurella Sp. AD106	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Myxobacterium Spp.	n/a	n/a
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no

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

Compound Details

Synonymous names

JLPUXFOGCDVKGO-TUAOUCFPSA-N

GEOSMIN

AC1L1I2Q

MYW912WXJ4

UNII-MYW912WXJ4

SCHEMBL50009

C16286

OR238484

4,8a-Dimethyl-decahydronaphthalen-4a-ol

OR031361

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

CHEMBL2374043

CHEBI:46702

ZINC3870304

(-)-geosmin

LS-95000

trans-1,10-dimethyl-trans-decalol

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

AKOS006282977

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

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

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

NCGC00165950-01

EINECS 243-239-8

19700-21-1

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

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

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

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

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

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

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

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

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

Microorganism:

Yes

IUPAC name

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

SMILES

CC1CCCC2(C1(CCCC2)O)C

Inchi

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

Formula

C₁₂H₂₂O

PubChem ID

29746

Molweight

182.307

LogP

3.17

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Bicyclo Alcohols

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Actinomycetes Spp.	n/a		Dickschat et al., 2007
Bacteria	Cyanobacteria	n/a		Dickschat et al., 2007
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2007
Bacteria	Myxococcus Xanthus	n/a		Nawrath et al., 2008
Bacteria	Nannocystis Exedens Na E485	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Na EB37	n/a		Dickschat et al., 2007
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Streptomyces Griseus	n/a		Nawrath et al., 2008
Bacteria	Streptomyces Spp.	n/a		Dickschat et al., 2007
Bacteria	Actinobacteria Sp.	n/a		Stahl and Parkin, 1976
Bacteria	Anabaena Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus	n/a		Schulz and Dickschat, 2007
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Lyngbya	n/a		Schulz and Dickschat, 2007
Bacteria	Marine Streptomycete (isolate B6007)	n/a		Stritzke et al., 2004
Bacteria	Myxobacterium Spp.	n/a		Dickschat et al., 2004
Bacteria	Myxococcus Xanthus	n/a		Schulz and Dickschat, 2007
Bacteria	Nannocystis Exedens	n/a		Schulz and Dickschat, 2007
Bacteria	Oscillatoria Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Stigmatella Aurantiaca	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albidoflavus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus IMRU 3491	na	na	Gerber and Lechavelier, 1967
Bacteria	Streptomyces Antibioticus IMRU 3720	na	na	Gerber and Lechavelier, 1966
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Citreus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Coelicolor	n/a		Dickschat et al., 2005
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Fradiae IMRU 3535	na	na	Gerber and Lechavelier, 1968
Bacteria	Streptomyces Fradiae IMRU 3535-R7	na	na	Gerber and Lechavelier, 1969
Bacteria	Streptomyces Griseus	n/a		Dickschat et al., 2005
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus LP-16	na	na	Gerber and Lechavelier, 1965
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Odorifer IMRU 3334	na	na	Gerber and Lechavelier, 1970
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Sulfureus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Niger			Priegnitz et al. 2015
Fungi	Chaetomium Globosum			Kikuchi et al. 1983
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Discolor			SchnÃ¼rer et al. 1999
Fungi	Penicillium Expansum	n/a		Mattheis and Roberts, 1992
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Sp.			Larsen and Frisvad 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Streptomyces Griseus			Gerber and Lechevalier 1965
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Myxobacterium Spp.	n/a	n/a
Bacteria	Myxococcus Xanthus	n/a	n/a
Bacteria	Nannocystis Exedens Na E485	n/a	n/a
Bacteria	Nannocystis Exedens Na EB37	n/a	n/a
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Streptomyces Griseus	n/a	n/a
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Actinobacteria Sp.	n/a	n/a
Bacteria	Anabaena Sp.	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Calothrix Spp.	n/a	n/a
Bacteria	Chondromyces Crocatus	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Bacteria	Lyngbya	n/a	n/a
Bacteria	Marine Streptomycete (isolate B6007)	n/a	n/a
Bacteria	Nannocystis Exedens	n/a	n/a
Bacteria	Oscillatoria Sp.	n/a	n/a
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca	n/a	n/a
Bacteria	Streptomyces Albidoflavus	n/a	n/a
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albus	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus IMRU 3491	Pablum	GC
Bacteria	Streptomyces Antibioticus IMRU 3720	SBM/Pablum	GC
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Citreus	n/a	n/a
Bacteria	Streptomyces Coelicolor	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Fradiae IMRU 3535	Pablum	GC
Bacteria	Streptomyces Fradiae IMRU 3535-R7	SBM Pablum	GC
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus LP-16	YD + CaCO3/SBM/Pablum	GC
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Odorifer IMRU 3334	YD + CaCO3/SBM/Pablum	GC
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp. AMI 243	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Sulfureus	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Niger			no
Fungi	Chaetomium Globosum			no
Fungi	Penicillium Commune Pitt	DG18,MEA	GC/MS
Fungi	Penicillium Discolor	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Penicillium Expansum	n/a	n/a
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Sp.			no
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Streptomyces Griseus			no
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS

Compound Details

Synonymous names

Copaene

ALPHA-COPAENE

AC1L9CNW

CTK8F1424

PL001567

(-)-alpha-Copaene

AKOS030255135

3856-25-5

(1R)-1,3-DIMETHYL-8-(PROPAN-2-YL)TRICYCLO[4.4.0.0(2),?]DEC-3-ENE

(1R,2S,6S,7S,8S)-(-)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene

Microorganism:

Yes

IUPAC name

SMILES

CC1=CCC2C3C1C2(CCC3C(C)C)C

Inchi

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m1/s1

Formula

C₁₅H₂₄

PubChem ID

442355

Molweight

204.357

LogP

4.09

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes Alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	na	soil	Wilkins, 1996
Fungi	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Fomitopsis Pinicola	na	Germany	RÃ¶secke et al., 2000
Fungi	Fusarium Culmorum PV	na	sandy dune soil, Netherlands	Schmidt et al., 2016
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Bacteria	Streptomyces Caviscabies	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Griseus	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a		Dickschat et al., 2005_2

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Fungi	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Fomitopsis Pinicola	na	GC/MS	No
Fungi	Fusarium Culmorum PV	water agar supplied with artificial root exudates	GC/MS-Q-TOF	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Bacteria	Streptomyces Caviscabies	n/a	n/a
Bacteria	Streptomyces Griseus	n/a	n/a
Bacteria	Streptomyces Sp. GWS-BW-H5.	n/a	n/a

Results for: Species: Streptomyces griseus subsp. griseus DSM 40236 Signature

2-methylbuta-1,3-diene

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

(methyldisulfanyl)methane

Compound Details

mVOC Specific Details

6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

(methyltrisulfanyl)methane

Compound Details

mVOC Specific Details

S-methyl Butanethioate

Compound Details

mVOC Specific Details

S-methyl Ethanethioate

Compound Details

mVOC Specific Details

(methyltetrasulfanyl)methane

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

Compound Details

mVOC Specific Details

Results for:
Species: Streptomyces griseus subsp. griseus DSM 40236

Signature