Results for:
PubChem ID: 16724

(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

Mass-Spectra

Compound Details

Synonymous names
ULDHMXUKGWMISQ-VIFPVBQESA-N
Carvol
dextro-carvone
d-Carvone
0WU
AC1Q6CEM
dill weed oil terpeneless
4RWC1CMS3X
AC1L28JX
UNII-4RWC1CMS3X
AC1Q1J38
AC1Q1J39
UNII-75GK9XIA8I component ULDHMXUKGWMISQ-VIFPVBQESA-N
C10H14O
LS-73
(S)-Carvone
HMDB04487
V0240
AM84798
CHEMBL501949
d-Carvone (natural)
RP21406
SCHEMBL184022
(4S)-carvone
C11383
CCRIS 2385
DSSTox_CID_256
HMS3039E10
ZINC968102
AK116586
DTXSID8020256
Jsp004564
OR040159
OR109440
SBB012349
ST069328
ZB015517
A816212
CHEBI:15399
D(+)-Carvone
S(+)-Carvone
(+)-Carvone
ACM2244168
AJ-24574
AN-20779
carvone, (S)-isomer
DSSTox_GSID_20256
FCH1120205
ST2414611
DSSTox_RID_75467
MFCD00062997
ZINC00968102
ZX-AT010518
AI3-39004
KB-211218
(+)-Carvone, analytical standard
D-(+)-Carvone
Epitope ID:141510
Q-200930
S-(+)-carvone
FT-0658046
MLS002415723
SMR001370898
D-Carvone, >=96%, FG
Tox21_201441
Tox21_302743
(S)-()-Carvone
5-isopropenyl-2-methylcyclohex-2-en-1-one
Carvone, (+)-
2244-16-8
NCGC00091882-01
NCGC00091882-02
NCGC00091882-03
NCGC00091882-04
NCGC00256315-01
NCGC00258992-01
(S)-5-Isopropenyl-2-methyl-2-cyclohexenone
EINECS 218-827-2
(+)-(S)-Carvone
(S)-(+)-Carvone
53763-73-8
CAS-2244-16-8
d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one
(+)-(4S)-carvone
(+)-Carvone, certified reference material, TraceCERT(R)
MolPort-001-769-671
2-Methyl-4- -2-cyclohexene-1-one
(S)-5-isopropenyl-2-methylcyclohex-2-en-1-one
2-Methyl-5-(1-methylethenyl)-2-cyclohexene-1-one
(S)-(+)-Carvone, 96%
d-p-Mentha-6,8(9)-dien-2-one
(5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one
5-Isopropenyl-2-methyl-2-cyclohexen-1-one, (S)-
d-p-Mentha-6,8,(9)-dien-2-one
(S)-2-methyl-5-(1-methylethenyl)-2-Cyclohexen-1-one
(4S)-p-mentha-1(6),8-dien-2-one
(S)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-one
(5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enone
(5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
(5S)-2-methyl-5-(1-methylethenyl)cyclohex-2-en-1-one
(5S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one
(S)-(+)-p-Mentha-6,8-dien-2-one
(S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
(S)-d-p-Mentha-6,8,(9)-dien-2-one
(S)-(+)-p-mentha-6,8-dien- 2-one
(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
p-Mentha-6,8-dien-2-one, (S)-(+)-
(5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one
2-Cyclohexen-1-one,2-methyl-5-(1-methylethenyl)-, (5S)-
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-
Microorganism:

Yes

IUPAC name(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESCC1=CCC(CC1=O)C(=C)C
InchiInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
FormulaC10H14O
PubChem ID16724
Molweight150.221
LogP2.55
Atoms25
Bonds25
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes ketones

mVOC Specific Details

Volatilization
The Henry's Law constant for carvone is estimated as 7.73X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that carvone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 11 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 9 days(SRC). Carvone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Carvone has an estimated vapor pressure of 0.115 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, carvone may volatilize from dry soil(SRC).
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; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 14, 2016: http://www2.epa.gov/tsca-screening-tools
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of carvone can be estimated to be 140(SRC). According to a classification scheme(2), this estimated Koc value suggests that carvone is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 14, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.115 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 14, 2016: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiGanoderma LucidumnaGC/MSNo