Results for:
chemical Classification: alkadienes

Compound Details

Synonymous names

1,2-BUTADIENE

buta-1,2-diene

590-19-2

Methylallene

1-Methylallene

Allene, methyl-

1,2-butadien

Buta-1,2-dien

CH2=C=CH-CH3

2AZI943A8R

HSDB 5705

UNII-2AZI943A8R

Methylajoene

EINECS 209-674-2

EC 209-674-2

CH2=C=CHCH3

1,2-BUTADIENE [HSDB]

DTXSID5027225

CHEBI:39480

1,2-Butadiene, >=97.0%

MFCD00039911

1,2-Butadiene, >=99.0% (GC)

B0856

NS00002160

InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H

Q161451

Microorganism:

Yes

IUPAC name

SMILES

CC=C=C

Inchi

InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3

Formula

C₄H₆

PubChem ID

11535

Molweight

54.09

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbonsalkenes

CHEBI-ID

39480

Supernatural-ID

SN0310363

mVOC Specific Details

Boiling Point

Degree	Reference
10.9 °C peer reviewed

Volatilization

The Henry's Law constant for 1,2-butadiene is estimated as 0.097 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,2-butadiene 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 1 hour(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 70 hours(SRC). 1,2-Butadiene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,2-butadiene from dry soil surfaces may exist based upon a vapor pressure of 1,260 mm Hg(3).

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,2-butadiene can be estimated to be 24(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,2-butadiene is expected to have very high mobility in soil(SRC).

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no

(3Z)-nona-1,3-diene

Compound Details

Synonymous names

1,3-Nonadiene

1,cis-3-nonadiene

cis-nonadiene

CLNYHERYALISIR-ALCCZGGFSA-N

Microorganism:

IUPAC name

(3Z)-nona-1,3-diene

SMILES

CCCCCC=CC=C

Inchi

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5-

Formula

C₉H₁₆

PubChem ID

12563923

Molweight

124.22

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

Supernatural-ID

SN0049042-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Ochraceus		NA	Jelen and Grabarkiewicz-Szczesna 2005

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Ochraceus			no

(3E)-undeca-1,3-diene

Compound Details

Synonymous names

Undecadiene

Microorganism:

Yes

IUPAC name

(3E)-undeca-1,3-diene

SMILES

CCCCCCCC=CC=C

Inchi

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7H,1,4,6,8-11H2,2H3/b7-5+

Formula

C₁₁H₂₀

PubChem ID

10997232

Molweight

152.28

LogP

5.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Trivialis	n/a	NA	Kai et al. 2007
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Fluorescens	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Trivialis	n/a	n/a	no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes

(6Z,9E)-heptadeca-6,9-diene

Compound Details

Synonymous names

6(Z),9(E)-Heptadecadiene

(6Z,9E)-6,9-Heptadecadiene

AGMLTHHZJKHNLS-YHQKBTMFSA-N

DTXSID301311869

132833-58-0

Microorganism:

IUPAC name

(6Z,9E)-heptadeca-6,9-diene

SMILES

CCCCCCCC=CCC=CCCCCC

Inchi

InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11-,17-16+

Formula

C₁₇H₃₂

PubChem ID

10444140

Molweight

236.4

LogP

7.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Tuber Panniferum		Fortywoodland of the Basilicata region	Mauriello et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Tuber Panniferum		microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no

(3E)-trideca-1,3-diene

Compound Details

Synonymous names

(3E)-trideca-1,3-diene

tridecadiene

Trideca-1,3-diene, (3E)-

38725-49-4

Microorganism:

Yes

IUPAC name

(3E)-trideca-1,3-diene

SMILES

CCCCCCCCCC=CC=C

Inchi

InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1,4,6,8-13H2,2H3/b7-5+

Formula

C₁₃H₂₄

PubChem ID

6442620

Molweight

180.33

LogP

6.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Penicillium Chrysogenum	n/a	obtained from buildings	Wilkins et al. 2000
Prokaryota	Pseudomonas Fluorescens	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Penicillium Chrysogenum	medium with isoleucin	Cultures were grown at 21-23Â°C for 7 days,VOC-analyse by GC/MS	no
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes

(3E)-hepta-1,3-diene

Compound Details

Synonymous names

1,3-heptadiene

1,3-heptadiene, trans

2384-92-1

hepta-1,3-diene

(E)-1,3-Heptadiene

heptadiene

1,trans-3-heptadiene

OGQVROWWFUXRST-FNORWQNLSA-N

OGQVROWWFUXRST-UHFFFAOYSA-N

AKOS006275690

EN300-1850633

Microorganism:

Yes

IUPAC name

(3E)-hepta-1,3-diene

SMILES

CCCC=CC=C

Inchi

InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5+

Formula

C₇H₁₂

PubChem ID

5462716

Molweight

96.17

LogP

3.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

Supernatural-ID

SN0264906-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans		NA	Karami et al. 2017
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no

(3Z)-octa-1,3-diene

Compound Details

Synonymous names

1,cis-3-octadiene

cis-1,3-octadiene

(z)1,3-octadiene

1,3-Octadiene, cis

Microorganism:

IUPAC name

(3Z)-octa-1,3-diene

SMILES

CCCCC=CC=C

Inchi

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5-

Formula

C₈H₁₄

PubChem ID

5462700

Molweight

110.2

LogP

3.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Penicillium Paneum	n/a	NA	Chitarra et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Penicillium Paneum	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.	no

(3E)-4-methylhepta-1,3-diene

Compound Details

Synonymous names

4-METHYL-1,3-HEPTADIENE

(3E)-4-methylhepta-1,3-diene

4-Methyl-1,3-heptadiene (c,t)

17603-57-5

(E)-1,3-Heptadiene, 4-methyl-

4-Methyl-1,3-heptadiene (cis,trans)

40095-05-4

1,3-Heptadiene, 4-methyl

(E)-4-Methyl-1,3-heptadiene

AHWGKLXMXHPYBI-SOFGYWHQSA-N

CHEBI:167072

(3E)-4-Methyl-1,3-heptadiene

AKOS006273234

(E)-CH3CH2CH2C(CH3)=CHCH=CH2

Microorganism:

IUPAC name

(3E)-4-methylhepta-1,3-diene

SMILES

CCCC(=CC=C)C

Inchi

InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/b8-6+

Formula

C₈H₁₄

PubChem ID

5368944

Molweight

110.2

LogP

3.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

CHEBI-ID

167072

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	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
Eukaryota	Tuber Melanosporum			yes

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

Mass-Spectra

Compound Details

Synonymous names

Alloocimene

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

673-84-7

ALLO-OCIMENE

3016-19-1

(4E,6E)-Alloocimene

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

trans,trans-Alloocimene

(4E,6E)-Allocimene

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

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

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

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

trans-Alloocimene

Alloocimene, (4E,6E)-

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

6TF53L340E

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

DTXCID50196508

Allocymene

OCIMENE, ALLO

CAS-673-84-7

EINECS 211-614-5

EINECS 221-153-1

DTXSID4027288

NSC 406263

UNII-6TF53L340E

AI3-00737

Alloocimene I

NSC406263

ocimene (allo-)

Z-Neo-allo-ocimene

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

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

(E,E)-allo-ocimene

ALLOOCIMENE A

trans,trans-allo-ocimene

UNII-J9D0BS5BZN

(4E,6E)-allo-ocimene

J9D0BS5BZN

(E,E)-ALLOOCIMENE

OCIMENE, A110

4-trans-6-trans-alloocimene

CHEMBL2268552

CHEBI:90064

DTXSID00883936

CHEBI:141222

Tox21_202278

Tox21_303244

BBL027750

LMFA11000042

STL146333

AKOS005720971

AKOS040744565

NSC-406263

NCGC00249203-01

NCGC00257015-01

NCGC00259827-01

VS-08587

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

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

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

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

D1277

NS00013050

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

W-109590

W-109849

Q15628365

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

Microorganism:

IUPAC name

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

SMILES

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

Inchi

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

Formula

C₁₀H₁₆

PubChem ID

5368821

Molweight

136.23

LogP

4.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

CHEBI-ID

141222

Supernatural-ID

SN0112929-04

mVOC Specific Details

MS-Links

MS-MS Spectrum 102670

MS-MS Spectrum 168534

MS-MS Spectrum 102669

MS-MS Spectrum 168535

MS-MS Spectrum 102671

MS-MS Spectrum 168536

Species emitting the compound

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

Method

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

(4E)-2-methylhexa-2,4-diene

Mass-Spectra

Compound Details

Synonymous names

2-Methyl-2,4-hexadiene

2,4-Hexadiene, 2-methyl-

dimethylpentadiene

(4E)-2-methylhexa-2,4-diene

CHEBI:202789

PRTJSZPCEHPORP-SNAWJCMRSA-N

(4E)-2-Methyl-2,4-hexadiene #

Microorganism:

IUPAC name

(4E)-2-methylhexa-2,4-diene

SMILES

CC=CC=C(C)C

Inchi

InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-6H,1-3H3/b5-4+

Formula

C₇H₁₂

PubChem ID

5367611

Molweight

96.17

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

CHEBI-ID

202789

Supernatural-ID

SN0293454-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Paecilomyces Variotii	n/a	NA	Fischer et al. 1999

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Paecilomyces Variotii	yeast extract sucrose agar	n/a	no

(6E)-2,6-dimethylocta-2,6-diene

Compound Details

Synonymous names

2609-23-6

(6E)-2,6-dimethylocta-2,6-diene

2,6-Octadiene, 2,6-dimethyl-

2792-39-4

2,6-Dimethyl-trans-2,6-octadiene

2 6-DIMETHYL-2 CIS-6-OCTADIENE

2,6-Dimethyl-2-cis-6-octadiene

(6E)-2,6-Dimethyl-2,6-octadiene

2,6-Dimethyl-2-trans-6-octadiene

2,6-DIMETHYL-2,6-OCTADIENE

NSC310168

2,6-Dimethyl 2,6-octadiene

CHEBI:229292

MZPDTOMKQCMETI-BJMVGYQFSA-N

MZPDTOMKQCMETI-UHFFFAOYSA-N

DTXSID401015874

2,6-dimethyl-octa-2,6trans-diene

2,6-Dimethyl 2,6-octadiene (cis)

(6E)-2,6-dimethyl-octa-2,6-diene

NSC-310168

(6Z)-2,6-Dimethyl-2,6-octadiene #

Microorganism:

Yes

IUPAC name

(6E)-2,6-dimethylocta-2,6-diene

SMILES

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

Inchi

InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3/b10-5+

Formula

C₁₀H₁₈

PubChem ID

5365898

Molweight

138.25

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

CHEBI-ID

229292

Supernatural-ID

SN0239583-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(5E)-3,3-dimethylhepta-1,5-diene

Compound Details

Synonymous names

1,5-Heptadiene, 3,3-dimethyl-, (E)-

MUJZYQWSJHLFLC-FNORWQNLSA-N

(5E)-3,3-Dimethyl-1,5-heptadiene #

Microorganism:

Yes

IUPAC name

(5E)-3,3-dimethylhepta-1,5-diene

SMILES

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

Inchi

InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5-7H,2,8H2,1,3-4H3/b7-5+

Formula

C₉H₁₆

PubChem ID

5365879

Molweight

124.22

LogP

3.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(1Z,5Z)-1,5-dimethylcycloocta-1,5-diene

Compound Details

Synonymous names

1,5-Dimethyl-1,5-cyclooctadiene

3760-14-3

1,5-Cyclooctadiene, 1,5-dimethyl-

Y37A397RLD

(1Z,5Z)-1,5-dimethylcycloocta-1,5-diene

EINECS 223-173-6

1,5-Dimethyl cyclooctadiene

UNII-Y37A397RLD

1,5-Dimethyl-cycloocta-1,5-diene

InChI=1/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8

Microorganism:

IUPAC name

(1Z,5Z)-1,5-dimethylcycloocta-1,5-diene

SMILES

CC1=CCCC(=CCC1)C

Inchi

InChI=1S/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8-

Formula

C₁₀H₁₆

PubChem ID

5365758

Molweight

136.23

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Pythium Oligandrum	N/A	Pythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.	Sheikh et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Pythium Oligandrum	V8 juice agar	SPME/GC-MS/MS	no

(3E)-3-ethyl-2-methylhexa-1,3-diene

Compound Details

Synonymous names

3-ETHYL-2-METHYL-1,3-HEXADIENE

1,3-Hexadiene, 3-ethyl-2-methyl-

61142-36-7

3-ETHYL-2-METHYLHEXA-1,3-DIENE

starbld0031057

ICVZMTIGTXBIHI-VQHVLOKHSA-N

3-ethyl-2-methyl-1,3- hexadiene

(3e)3-ethyl-2-methyl-1,3-hexadiene

(3E)-3-Ethyl-2-methyl-1,3-hexadiene

Microorganism:

Yes

IUPAC name

(3E)-3-ethyl-2-methylhexa-1,3-diene

SMILES

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

Inchi

InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h7H,3,5-6H2,1-2,4H3/b9-7+

Formula

C₉H₁₆

PubChem ID

5365710

Molweight

124.22

LogP

4.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no

(6E)-2,6-dimethylocta-1,6-diene

Compound Details

Synonymous names

1,6-Octadiene, 2,6-dimethyl-

RKWJBEQYNAAFTH-BJMVGYQFSA-N

(6E)-2,6-Dimethyl-1,6-octadiene #

(r)-(-)-3,7-dimethylocta-2,7-diene

Microorganism:

Yes

IUPAC name

(6E)-2,6-dimethylocta-1,6-diene

SMILES

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

Inchi

InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5H,2,6-8H2,1,3-4H3/b10-5+

Formula

C₁₀H₁₈

PubChem ID

5365591

Molweight

138.25

LogP

4.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(2Z,4Z)-hexa-2,4-diene

Compound Details

Synonymous names

cis,cis-2,4-Hexadiene

(2Z,4Z)-2,4-Hexadiene

6108-61-8

2,4-Hexadiene, (Z,Z)-

(z,z)-2,4-hexadiene

(Z),(Z)-2,4-Hexadiene

(2Z,4Z)-hexa-2,4-diene

2,4-Hexadiene, (2Z,4Z)-

GBO62BQE9B

(Z),(Z)-CH3CH=CHCH=CHCH3

UNII-GBO62BQE9B

cis-2,cis-4-Hexadiene

cis-2-cis-4-hexadienen

DTXSID00873539

APPOKADJQUIAHP-GLIMQPGKSA-N

J469.959I

Q27279016

Microorganism:

IUPAC name

(2Z,4Z)-hexa-2,4-diene

SMILES

CC=CC=CC

Inchi

InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4-

Formula

C₆H₁₀

PubChem ID

5326156

Molweight

82.14

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Heddergott et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	Brian	SPME/GC-MS	no

(2E,4E)-hexa-2,4-diene

Compound Details

Synonymous names

2,4-HEXADIENE

(2E,4E)-hexa-2,4-diene

5194-51-4

Dipropenyl

592-46-1

trans,trans-2,4-Hexadiene

2,4-Hexadiene, (E,E)-

2,4-hexadiene, (2E,4E)-

Bipropenyl

trans,trans-Hexa-2,4-diene

(2E,4E)-2,4-Hexadiene

1,4-Dimethylbutadiene

8NFN12O8UQ

(E),(E)-CH3CH=CHCH=CHCH3

68514-38-5

EINECS 209-757-3

NSC 74169

UNII-5YFI5QMF73

UNII-8NFN12O8UQ

CCRIS 8962

EINECS 225-980-9

EINECS 271-040-6

MFCD00009297

EC 271-040-6

Trans-trans-2,4-hexadiene

5YFI5QMF73

trans, trans-2,4-hexadiene

2,4-Hexadiene,(2E,4E)-

(E,E)-2,4-HEXADIENE

DTXSID10859501

(2E,4E)-2,4-Hexadiene #

2,4-Hexadiene (contains isomers)

3-Hydroxy-4-methoxy-benzenepropanol

AKOS015903031

BP-10039

DB-257148

J147.953I

NS00046024

TRANS,TRANS-1,4-DIMETHYL-1,3-BUTADIENE

Q27270785

InChI=1/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4

Microorganism:

Yes

IUPAC name

(2E,4E)-hexa-2,4-diene

SMILES

CC=CC=CC

Inchi

InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

Formula

C₆H₁₀

PubChem ID

638071

Molweight

82.14

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(3E)-2-methylpenta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names

2-METHYL-1,3-PENTADIENE

trans-2-Methyl-1,3-pentadiene

926-54-5

(3E)-2-methylpenta-1,3-diene

1118-58-7

2-Methylpenta-1,3-diene

2,4-Dimethyl-1,3-butadiene

RU7NHQ8VSH

2-Methyl-1,3-pentadiene,c&t

CH2=C(CH3)CH=CHCH3

trans-2-Methylpenta-1,3-diene

NSC-123452

EINECS 213-136-2

EINECS 214-264-1

NSC123452

1,3-Pentadiene, 2-methyl-, (E)-

NSC 123452

UNII-RU7NHQ8VSH

2-methyl-penta-1,3-trans-diene

(3E)-2-Methyl-1,3-pentadiene

DTXSID101020907

(E)-CH2=C(CH3)CH=CHCH3

AKOS006229866

1,3-pentadiene, 2-methyl-, (3E)-

DB-246406

NS00079680

W-109642

InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4

Microorganism:

IUPAC name

(3E)-2-methylpenta-1,3-diene

SMILES

CC=CC(=C)C

Inchi

InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+

Formula

C₆H₁₀

PubChem ID

638070

Molweight

82.14

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

Supernatural-ID

SN0321568-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Paecilomyces Variotii	na	compost, soils, food products	Sunesson et al. 1995

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Paecilomyces Variotii	MEA	GC/MS	no

Compound Details

Synonymous names

2,3-Nonadiene

22433-34-7

DTXSID60338477

QPYQHAPIBCQICN-UHFFFAOYSA-N

Microorganism:

IUPAC name

SMILES

CCCCCC=C=CC

Inchi

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,7H,4,6,8-9H2,1-2H3

Formula

C₉H₁₆

PubChem ID

549311

Molweight

124.22

LogP

3.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes

3-ethyl-2,5-dimethylhexa-1,3-diene

Compound Details

Synonymous names

62338-07-2

1,3-Hexadiene, 3-ethyl-2,5-dimethyl-

DTXSID00338431

3-ethyl-2,5-dimethyl-1,3-hexadiene

2,5-Dimethyl-3-ethyl-1,3-hexadiene

DB-302468

Microorganism:

Yes

IUPAC name

3-ethyl-2,5-dimethylhexa-1,3-diene

SMILES

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

Inchi

InChI=1S/C10H18/c1-6-10(9(4)5)7-8(2)3/h7-8H,4,6H2,1-3,5H3

Formula

C₁₀H₁₈

PubChem ID

549065

Molweight

138.25

LogP

4.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkadienes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

Results for: chemical Classification: alkadienes

Compound Details

mVOC Specific Details

(3Z)-nona-1,3-diene

Compound Details

mVOC Specific Details

(3E)-undeca-1,3-diene

Compound Details

mVOC Specific Details

(6Z,9E)-heptadeca-6,9-diene

Compound Details

mVOC Specific Details

(3E)-trideca-1,3-diene

Compound Details

mVOC Specific Details

(3E)-hepta-1,3-diene

Compound Details

mVOC Specific Details

(3Z)-octa-1,3-diene

Compound Details

mVOC Specific Details

(3E)-4-methylhepta-1,3-diene

Compound Details

mVOC Specific Details

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

Compound Details

mVOC Specific Details

(4E)-2-methylhexa-2,4-diene

Compound Details

mVOC Specific Details

(6E)-2,6-dimethylocta-2,6-diene

Compound Details

mVOC Specific Details

(5E)-3,3-dimethylhepta-1,5-diene

Compound Details

mVOC Specific Details

(1Z,5Z)-1,5-dimethylcycloocta-1,5-diene

Compound Details

mVOC Specific Details

(3E)-3-ethyl-2-methylhexa-1,3-diene

Compound Details

mVOC Specific Details

(6E)-2,6-dimethylocta-1,6-diene

Compound Details

mVOC Specific Details

(2Z,4Z)-hexa-2,4-diene

Compound Details

mVOC Specific Details

(2E,4E)-hexa-2,4-diene

Compound Details

mVOC Specific Details

(3E)-2-methylpenta-1,3-diene

Compound Details

mVOC Specific Details

Compound Details

mVOC Specific Details

3-ethyl-2,5-dimethylhexa-1,3-diene

Compound Details

mVOC Specific Details

Results for:
chemical Classification: alkadienes