Results for:
chemical Classification: cycloalkenes

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

Compound Details

Synonymous names
1,3,6-Cyclooctatriene
cycloocta-1,3,6-triene
3725-30-2
(1Z,3Z,6Z)-cycloocta-1,3,6-triene
1,4,6-Cyclooctatriene
A4MP3YY9QN
(1Z,3Z,6Z)-1,3,6-Cyclooctatriene
1,3,6-Cyclooctatriene, (1Z,3Z,6Z)-
114811-56-2
UNII-A4MP3YY9QN
CHEBI:37892
LHNSMWDERKGLJK-DKPWQKSPSA-N
Microorganism:

No

IUPAC name(1Z,3Z,6Z)-cycloocta-1,3,6-triene
SMILESC1C=CCC=CC=C1
InchiInChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-4,7-8H,5-6H2/b3-1-,4-2-,8-7-
FormulaC8H10
PubChem ID5367250
Molweight106.16
LogP2.9
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
CHEBI-ID37892

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes


(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene

Compound Details

Synonymous names
1,5,9-Trimethyl-1,5,9-cyclododecatriene
1,5,9-Cyclododecatriene, 1,5,9-trimethyl-
21064-19-7
XOTMHDVYZZBKEJ-PEFAHGPYSA-N
1,5,9-Trimethyl cyclododecatriene
EINECS 244-190-5
NS00026778
Microorganism:

No

IUPAC name(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene
SMILESCC1=CCCC(=CCCC(=CCC1)C)C
InchiInChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-
FormulaC15H24
PubChem ID5365777
Molweight204.35
LogP3.9
Atoms15
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus TerreusNANAKoo et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus TerreusYPDTD/GC-MSno


Cyclodecene

Compound Details

Synonymous names
cis-Cyclodecene
Cyclodecene
(Z)-Cyclodecene
935-31-9
Cyclodecene, (Z)-
3618-12-0
1-Cyclodecene
Cyclodecene, cis
(9Z)-cyclodecene
(1Z)-Cyclodecene
EINECS 213-301-9
DTXSID201015997
NSC105776
NSC155648
NSC 105776
NSC-105776
NSC-155648
NS00041870
Microorganism:

Yes

IUPAC namecyclodecene
SMILESC1CCCCC=CCCC1
InchiInChI=1S/C10H18/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,3-10H2/b2-1-
FormulaC10H18
PubChem ID5365612
Molweight138.25
LogP4.6
Atoms10
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene

Compound Details

Synonymous names
gamma-Humulene
26259-79-0
(1Z,6Z)-1,8,8-Trimethyl-5-methylene-cycloundeca-1,6-diene
Q27121597
(1Z,6Z)-1,8,8-trimethyl-5-methylenecycloundeca-1,6-diene
Microorganism:

No

IUPAC name1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
SMILESCC1=CCCC(=C)C=CC(CCC1)(C)C
InchiInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3
FormulaC15H24
PubChem ID3015263
Molweight204.35
LogP5
Atoms15
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
CHEBI-ID49290
Supernatural-IDSN0090813

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium OxysporumNAMoisan et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Oxysporum1/5th PDA mediumGC-MSno


Cyclooctene

Mass-Spectra

Compound Details

Synonymous names
CYCLOOCTENE
cis-Cyclooctene
931-88-4
(Z)-Cyclooctene
931-87-3
cyclooctene, (1Z)-
Cyclooctene, (Z)-
(1Z)-cyclooctene
NSC 72425
931-89-5
AE340T3540
1-Cyclooctene #
MFCD00001753
UNII-AE340T3540
(7Z)-cyclooctene
NSC72425
EINECS 213-243-4
EINECS 213-245-5
AI3-26693
EC 213-243-4
CHEMBL30773
Cyclooctene, analytical standard
DTXSID20883615
CHEBI:225365
CHEBI:229204
NSC-72425
AKOS000121281
BS-23512
Cyclooctene 100 microg/mL in Acetonitrile
DB-246774
C0506
EN300-21667
EN300-304057
Q415390
cis-Cyclooctene, 95%, stab. with IRGANOX 1076
W-109102
cis-Cyclooctene, contains 100-200 ppm Irganox 1076 FD as antioxidant, 95%
25267-51-0
Microorganism:

No

IUPAC namecyclooctene
SMILESC1CCCC=CCC1
InchiInChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
FormulaC8H14
PubChem ID638079
Molweight110.2
LogP3.5
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
CHEBI-ID225365

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaEmericella Nidulanscompost Fischer et al. 1999
EukaryotaPenicillium Cyclopiumcompost Fischer et al. 1999
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaEmericella Nidulansyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Cyclopiumyest extract sucroseTenax/GC-MSno


Cyclododecene

Compound Details

Synonymous names
CYCLODODECENE
1501-82-2
(Z)-Cyclododecene
1129-89-1
Cyclododecene, (Z)-
Cyclododecene,c&t
cis-Cyclododecene.
Cyclododecene, (1E)-
1-Cyclododecene #
Cyclododecene (c,t)
MFCD00003721
CYCLODODECENE (TRANS)
EINECS 216-117-7
(1Z)-cyclododecene
cyclododecene, (1Z)-
Cyclododecene, ca 70% trans isomer
AKOS006230279
J-008668
Q63408775
InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1
Microorganism:

Yes

IUPAC namecyclododecene
SMILESC1CCCCCC=CCCCC1
InchiInChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
FormulaC12H22
PubChem ID637538
Molweight166.3
LogP5.7
Atoms12
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Salmoniscontrol of postharvest anthracnose disease of chili caused by Colletotrichum gloeosporioides PSU-03Phitsanulok Seed Research and Development Center, Department of Agriculture, Ministry of Agriculture and Cooperatives, ThailanBoukaew et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces SalmonisGYM agarSPME/GC-MSno


1-methyl-2-methylidenecycloheptan-1-ol

Compound Details

Synonymous names
Cycloheptanol, 1-methyl-2-methylene-
BYHLGMHSLROREH-UHFFFAOYSA-N
1-Methyl-2-methylenecycloheptanol #
Microorganism:

Yes

IUPAC name1-methyl-2-methylidenecycloheptan-1-ol
SMILESCC1(CCCCCC1=C)O
InchiInChI=1S/C9H16O/c1-8-6-4-3-5-7-9(8,2)10/h10H,1,3-7H2,2H3
FormulaC9H16O
PubChem ID556537
Molweight140.22
LogP1.9
Atoms10
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3-propan-2-ylcyclohexene

Compound Details

Synonymous names
3-Isopropyl-1-cyclohexene
3-isopropylcyclohexene
Cyclohexene, 3-(1-methylethyl)-
3-(1-Methylethyl)cyclohexene
P7JNF9LCJ6
3983-08-2
Tetrahydrocumol
3-Isopropylcyclohexene-1
UNII-P7JNF9LCJ6
3-Isopropyl-1-cyclohexene #
HKZXDFQIKRFLMW-UHFFFAOYSA-N
DTXSID501015853
Microorganism:

No

IUPAC name3-propan-2-ylcyclohexene
SMILESCC(C)C1CCCC=C1
InchiInChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3
FormulaC9H16
PubChem ID520966
Molweight124.22
LogP3.6
Atoms9
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno


4-butylcyclohexene

Compound Details

Synonymous names
Cyclohexene,4-butyl-
4-Butyl-1-cyclohexene
21524-26-5
4-Butyl-cyclohexene
4-Butylcyclohexene-1
4-Butylcyclohex-1-ene
Cyclohexene, 4-butyl-
DTXSID00944132
JVPPGMNHTVHMES-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name4-butylcyclohexene
SMILESCCCCC1CCC=CC1
InchiInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h4-5,10H,2-3,6-9H2,1H3
FormulaC10H18
PubChem ID140845
Molweight138.25
LogP4.3
Atoms10
Bonds3
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno


1,3-dimethylcyclohexene

Compound Details

Synonymous names
1,3-Dimethyl-1-cyclohexene
1,3-dimethylcyclohexene
1,3-Dimethyl cyclohexene
2808-76-6
Cyclohexene, 1,3-dimethyl-
D480RV240H
1,3-Dimethyl-3-cyclohexene
1,3-DIMETHYLCYCLOHEX-1-ENE
2,4-dimethyl-3-cyclohexene
UNII-D480RV240H
DTXSID50950804
CHEBI:229329
AKOS006282592
Microorganism:

Yes

IUPAC name1,3-dimethylcyclohexene
SMILESCC1CCCC(=C1)C
InchiInChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h6-7H,3-5H2,1-2H3
FormulaC8H14
PubChem ID137726
Molweight110.2
LogP2.7
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
CHEBI-ID229329
Supernatural-IDSN0439379

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3,5,5-trimethylcyclohexene

Compound Details

Synonymous names
3,5,5-Trimethylcyclohexene
933-12-0
Cyclohexene, 3,5,5-trimethyl-
.delta.-Cyclogeraniolene
delta-Cyclogeraniolene
I -cyclogeraniolene
NSC73960
EINECS 213-265-4
NSC 73960
NCIOpen2_000504
3,5,5-trimethyl-cyclohexene
DTXSID00883618
3,5,5-Trimethyl-1-cyclohexene #
Cyclohexene,5,5-trimethyl- (VAN8C
NSC-73960
Cyclohexene, 3,5,5-trimethyl- (VAN)
DB-057395
NS00042285
Microorganism:

Yes

IUPAC name3,5,5-trimethylcyclohexene
SMILESCC1CC(CC=C1)(C)C
InchiInChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3
FormulaC9H16
PubChem ID79132
Molweight124.22
LogP3.4
Atoms9
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1,2,3,4,5-pentamethylcyclopenta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
4045-44-7
1,2,3,4,5-Pentamethylcyclopentadiene
1,2,3,4,5-pentamethylcyclopenta-1,3-diene
Pentamethylcyclopentadiene
Cyclopentadiene, 1,2,3,4,5-pentamethyl-
1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-
1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene
DSE3MRZ77C
NSC-222823
1,3-Cyclopentadiene, pentamethyl-
EINECS 223-743-4
MFCD00001354
NSC222823
UNII-DSE3MRZ77C
WQIQNKQYEUMPBM-UHFFFAOYSA-
AMY6945
DTXSID00193466
DTXSID50579236
AKOS015950699
NSC 222823
BS-16710
DB-009421
NS00030795
P1292
1,2,3,4,5-Pentamethylcyclopentadiene, 95%
1,2,3,4,5-pentamethyl-cyclopenta-1,3-diene
EN300-180073
1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl
A825115
Q1927394
1,2,3,4,5-Pentamethylcyclopentadiene, technical, >=94.0% (GC)
InChI=1/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3
51330-60-0
Microorganism:

No

IUPAC name1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC1C(=C(C(=C1C)C)C)C
InchiInChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3
FormulaC10H16
PubChem ID77667
Molweight136.23
LogP1.9
Atoms10
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
Supernatural-IDSN0417169

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium Culmorumnasandy dune soil, NetherlandsSchmidt et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Culmorumwater agar supplied with artificial root exudatesGC/MS-Q-TOFno


1-methylcyclohexene

Compound Details

Synonymous names
1-Methyl-1-cyclohexene
591-49-1
1-METHYLCYCLOHEXENE
1-Methylcyclohex-1-ene
Cyclohexene, 1-methyl-
1-methyl-cyclohexene
methyl-1-cyclohexene
.alpha.-Methylcyclohexene
1335-86-0
2,3,4,5-Tetrahydrotoluene
TE4P8Q2044
MFCD00001548
NSC-66539
Cyclohexene, methyl-
METHYLCYCLOHEXENE
C7H12
alpha-Methylcyclohexene
EINECS 215-640-8
2-methylcyclohexene
NSC66539
EINECS 209-718-0
NSC 66539
1-methylcyclohexene-1
AI3-52478
ghl.PD_Mitscher_leg0.949
UNII-TE4P8Q2044
1-Methyl-1-cyclohexene, 97%
DTXSID3060451
CHEBI:229299
AKOS015912507
CS-W004338
SY050145
M0200
NS00034096
EN300-84161
H10759
Q63392428
Z1250167423
InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H
Microorganism:

Yes

IUPAC name1-methylcyclohexene
SMILESCC1=CCCCC1
InchiInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
FormulaC7H12
PubChem ID11574
Molweight96.17
LogP2.4
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
CHEBI-ID229299
Supernatural-IDSN0055185

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilispig (Sus scrofa domesticus) carcassCernosek et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisNutrient AgarSPME-GC-MSno


3-methylcyclohexene

Compound Details

Synonymous names
3-METHYL-1-CYCLOHEXENE
3-Methylcyclohexene
591-48-0
Cyclohexene, 3-methyl-
3-methyl cyclohexene
7X3KTM424G
MFCD00001571
NSC-72091
3-Methylcyclohex-1-ene
(+/-)-3-Methylcyclohexene
NSC72091
EINECS 209-717-5
3-methyl-cyclohexene
NSC 72091
3-methylcyclohexene-1
UNII-7X3KTM424G
1-METHYLCYCLOHEX-2-ENE
DTXSID70862258
3-METHYLCYCLOHEXENE, (+/-)-
ABEI?N-(4-Aminobutyl)-N-ethylisoluminol
SY053359
M1034
NS00043103
D91429
Microorganism:

Yes

IUPAC name3-methylcyclohexene
SMILESCC1CCCC=C1
InchiInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
FormulaC7H12
PubChem ID11573
Molweight96.17
LogP2.8
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANABoots et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeMueller–HintonTD/GC-MSno


4-methylcyclohexene

Compound Details

Synonymous names
4-METHYLCYCLOHEXENE
4-Methyl-1-cyclohexene
591-47-9
Cyclohexene, 4-methyl-
4-Methylcyclohex-1-ene
2N22W8H0JX
NSC-9386
NSC9386
NSC 9386
EINECS 209-715-4
4-methyl cyclohexene
4-methyl-cyclohexene
4-Methylcyclohexene-1
4-Methylcyclohexene, 99%
UNII-2N22W8H0JX
DTXSID10862257
MFCD00001573
AKOS015842661
MCULE-6343106785
4-METHYLCYCLOHEXENE, (+/-)-
M0201
M2201
NS00042637
D91581
EN300-103785
4-Methyl-1-cyclohexene, purum, >=99.0% (GC)
Z1255457381
Microorganism:

Yes

IUPAC name4-methylcyclohexene
SMILESCC1CCC=CC1
InchiInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
FormulaC7H12
PubChem ID11572
Molweight96.17
LogP2.7
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes unsaturated hydrocarbons
Supernatural-IDSN0094662

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANABoots et al. 2014
Mycobacterium UlceransChudy et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeMueller–HintonTD/GC-MSno
Mycobacterium UlceransNAGCMS–GP2010no


Cyclohexene

Mass-Spectra

Compound Details

Synonymous names
CYCLOHEXENE
110-83-8
Tetrahydrobenzene
Cyclohex-1-ene
Benzene tetrahydride
1,2,3,4-Tetrahydrobenzene
Benzenetetrahydride
Hexanaphthylene
Cykloheksen
Benzene, tetrahydro-
1-Cyclohexene
3,4,5,6-Tetrahydrobenzene
Zyklohexen
NSC 24835
12L0P8F7GN
CHEBI:36404
NSC-24835
Cykloheksen [Polish]
25012-94-6
HSDB 1624
EINECS 203-807-8
UN2256
BRN 0906737
cylcohexene
UNII-12L0P8F7GN
cyclo hexene
cyclo-hexene
cyclohexane N
AI3-03146
CCRIS 8739
2-cyclohexen
MFCD00001539
UN 2256
CYCLOHEXENE [MI]
1,3,4-Tetrahydrobenzene
WLN: L6UTJ
CYCLOHEXENE [HSDB]
EC 203-807-8
4-05-00-00218 (Beilstein Handbook Reference)
CHEMBL16396
Cyclohexene, analytical standard
DTXSID9038717
AMY17792
NSC24835
STL445673
AKOS000119959
AKOS025243963
MCULE-3564016252
BP-31020
Cyclohexene [UN2256] [Flammable liquid]
NS00008978
EN300-19682
A802251
Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
Q413328
J-002481
F0001-0225
Z104474726
Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H
Microorganism:

Yes

IUPAC namecyclohexene
SMILESC1CCC=CC1
InchiInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
FormulaC6H10
PubChem ID8079
Molweight82.14
LogP2.9
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes alkenes
CHEBI-ID36404
Supernatural-IDSN0124671

mVOC Specific Details

Boiling Point
DegreeReference
83 °C peer reviewed
Volatilization
The Henry's Law constant for cyclohexene is 4.55X10-2 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexene 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 4 days(SRC). Cyclohexene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexene is expected to volatilize from dry soil surfaces(SRC) based upon a an extrapolated vapor pressure of 89 mm Hg(3).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (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) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of cyclohexene is estimated as 850 (SRC), using a log Kow of 2.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cyclohexene is expected to have low mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 23 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
89.0 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano


Cyclohepta-2,4,6-trien-1-one

Mass-Spectra

Compound Details

Synonymous names
Tropone
539-80-0
cyclohepta-2,4,6-trien-1-one
2,4,6-CYCLOHEPTATRIEN-1-ONE
Cycloheptatrienone
Tropon
2,4,6-Cycloheptatriene-1-one
CO48X7SUFH
MFCD00014331
UNII-CO48X7SUFH
cyclohepta-2,4,6-trienone
EINECS 208-725-6
Tropone, 97%
2,4,6-cycloheptatrienone
SCHEMBL316824
2,4,6-cycloheptatrien-1-on
1-cyclohepta-2,4,6-trienone
SCHEMBL18727723
DTXSID60202169
2,4,6-CYCLOHEPTATRIN-1-ONE
AKOS024365345
HY-W035904
MCULE-5628531135
(2Z,4Z,6Z)-cyclohepta-2,4,6-trienone
DB-052444
CS-0088241
NS00043109
D74673
A829875
Q413630
doi:10.14272/QVWDCTQRORVHHT-UHFFFAOYSA-N.1
InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6
Microorganism:

Yes

IUPAC namecyclohepta-2,4,6-trien-1-one
SMILESC1=CC=CC(=O)C=C1
InchiInChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
FormulaC7H6O
PubChem ID10881
Molweight106.12
LogP1.6
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationalkenes ketones cycloalkenes

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAlgihabitans Albusisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaAzoarcus Evansiin/aNASchulz and Dickschat 2007
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAlgihabitans Albusmarine broth agarOSSA/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaArthrobacter AgilisLB mediumSPME-GC/MSno
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaAzoarcus Evansiin/an/ano


4-ethenylcyclohexene

Compound Details

Synonymous names
4-Vinylcyclohexene
100-40-3
4-VINYL-1-CYCLOHEXENE
Cyclohexene, 4-ethenyl-
4-Ethenylcyclohexene
4-vinylcyclohex-1-ene
Butadiene dimer
Cyclohexenylethylene
Cyclohexene, 4-vinyl-
4-Ethenyl-1-cyclohexene
4-Vinylcyclohexene-1
1-Vinylcyclohexene-3
4-Vinyl cyclohexene
1-Cyclohexene, 4-vinyl-
Ethenyl-1-cyclohexene
NCI-C54999
1,2,3,4-Tetrahydrostyrene
Vinylcyclohexene, 4-
NSC 15760
1-Vinyl-3-cyclohexene
1-Vinylcyclohex-3-ene
212JQJ15PS
DTXSID3021437
CHEBI:82377
NSC-15760
CCRIS 1422
HSDB 2872
4-ethenylcyclohex-1-ene
EINECS 202-848-9
BRN 1901553
UNII-212JQJ15PS
AI3-08499
4-vinylcylohexene
4 vinyl cyclohexene
4-vinyl-cyclohexene
5-Ethenylcyclohexene
4-VINYLCYCLOHENE
1,3,4-Tetrahydrostyrene
EC 202-848-9
4-VCH
WLN: L6UTJ D1U1
4-05-00-00406 (Beilstein Handbook Reference)
DTXCID601437
4-Vinyl-1-cyclohexene, 99%
CHEMBL1330194
4-VINYLCYCLOHEXENE [IARC]
NSC15760
Tox21_200388
MFCD00001576
AKOS015903842
MCULE-1027409234
NCGC00091539-01
NCGC00091539-02
NCGC00091539-03
NCGC00257942-01
CAS-100-40-3
LS-13442
4-Vinyl-1-cyclohexene, analytical standard
DS-015484
NS00008744
V0023
4-Vinyl-1-cyclohexene (stabilized with BHT)
C19310
D92779
EN300-123688
4-Vinyl-1-cyclohexene 2000 microg/mL in Methanol
J-000127
Q4637205
Microorganism:

Yes

IUPAC name4-ethenylcyclohexene
SMILESC=CC1CCC=CC1
InchiInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
FormulaC8H12
PubChem ID7499
Molweight108.18
LogP2.8
Atoms8
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes cycloalkenes
CHEBI-ID82377

mVOC Specific Details

Boiling Point
DegreeReference
128 °C peer reviewed
Volatilization
The Henry's Law constant for 4-vinylcyclohexene is estimated as 4.5X10-2 atm-cu m/mole(SRC), derived from its vapor pressure, 15.7 mm Hg(1), and water solubility, 50 mg/l(2). This Henry's Law constant indicates that 4-vinylcyclohexene 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 1.1 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.1 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 19 days if adsorption is considered(4). 4-Vinylcyclohexene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 4- vinylcyclohexene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 15.7 mm Hg(1).
Soil Adsorption
The Koc of 4-vinylcyclohexene is estimated as 3300(SRC), using a measured log Kow of 3.93(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-vinylcyclohexene is expected to have slight mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno


Cyclopentene

Mass-Spectra

Compound Details

Synonymous names
CYCLOPENTENE
142-29-0
1-Cyclopentene
ONM2CKV81Z
DTXSID6029171
CHEBI:49155
NSC-5160
29300-20-7
NSC 5160
EINECS 205-532-9
UNII-ONM2CKV81Z
UN2246
C5H8
1-Cyclopentene #
Cyclopentene, 96%
cyclopent-2-en-1-yl
WLN: L5UTJ
EC 205-532-9
DTXCID609171
CHEMBL1797299
Cyclopentene, p.a., 99.0%
DTXSID20909723
NSC5160
Tox21_303765
MFCD00001394
AKOS000121282
MCULE-8785635218
NCGC00356963-01
CAS-142-29-0
DB-360222
C1617
Cyclopentene [UN2246] [Flammable liquid]
NS00007646
EN300-21672
Q415233
J-007633
F0001-0496
InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H
10016-46-3
Microorganism:

Yes

IUPAC namecyclopentene
SMILESC1CC=CC1
InchiInChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
FormulaC5H8
PubChem ID8882
Molweight68.12
LogP1.9
Atoms5
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes cycloalkenes
CHEBI-ID49155
Supernatural-IDSN0211756

mVOC Specific Details

Boiling Point
DegreeReference
44.44444444444444 median, REST, convertet to C
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaChryseobacterium Sp.nanaTyc et al. 2015
ProkaryotaDyella Sp.nanaTyc et al. 2015
ProkaryotaJanthinobacterium Sp.nanaTyc et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaChryseobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaDyella Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaJanthinobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno


4,4-dimethylcyclopentene

Compound Details

Synonymous names
4,4-Dimethylcyclopentene
Cyclopentene, 4,4-dimethyl-
19037-72-0
4,4-Dimethyl-1-cyclopentene
EINECS 242-770-2
4,4-Dimethyl-1-cyclopentene #
DTXSID00172519
MFCD30081294
SY349650
NS00026222
Microorganism:

Yes

IUPAC name4,4-dimethylcyclopentene
SMILESCC1(CC=CC1)C
InchiInChI=1S/C7H12/c1-7(2)5-3-4-6-7/h3-4H,5-6H2,1-2H3
FormulaC7H12
PubChem ID87906
Molweight96.17
LogP2.6
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationunsaturated hydrocarbons cycloalkenes

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Lactiplantibacillus PlantarumChen et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Lactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno