Results for:
PubChem ID: 439570

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

Compound Details

Synonymous names
ULDHMXUKGWMISQ-SECBINFHSA-N
Carvol
laevo-carvone
Levo-carvone
l-Carvone
AC1L97LT
07V
L -Carvone
carvol (obsolete)
UNII-75GK9XIA8I component ULDHMXUKGWMISQ-SECBINFHSA-N
K048
C10H14O
(R)-Carvone
5TO7X34D3D
CTK8F1396
SCHEMBL230994
RP21407
l-Carvone (natural)
bmse000500
C01767
UNII-5TO7X34D3D
(4R)-Carvone
BC206096
FCH920052
DTXSID7041413
AK114181
OR040153
OR079815
CHEMBL2229268
CHEBI:15400
1-methyl-4-isopropenyl-
L(-)-Carvone
AC-13342
DSSTox_GSID_41413
AJ-64962
(-)-Carvone
AN-20063
DSSTox_CID_21413
DSSTox_RID_79720
ZINC14588455
MFCD00001578
BB_NC-1762
(-)-Carvone, primary pharmaceutical reference standard
ST24035374
KB-209917
AI3-36200
R-(-)-Carvone
BB_NC-01762
AKOS006343214
Epitope ID:141509
(-)-Carvone, analytical standard
W-104816
LMPR0102090007
Tox21_300931
(R)?-?5-?Isopropenyl-?2-?methyl-?2-?cyclohexenone
p-?Mentha-?6,8-?dien-?2-?one
5-isopropenyl-2-methylcyclohex-2-en-1-one
Carvone, (-)-
6485-40-1
NCGC00254833-01
NCGC00248214-01
MCULE-7452592467
L-Carvone, natural, 99%, FG
EINECS 229-352-5
(R)-5-Isopropenyl-2-methyl-2-cyclohexenone
L-Carvone, >=97%, FCC, FG
(-)-(R)-Carvone
(R)-(-)-Carvone
CAS-6485-40-1
l-1-Methyl-4-isopropenyl-6-cyclohexen-2-one
(-)-(4R)-carvone
(4R)-(-)-Carvone
MolPort-002-507-612
(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one
(R)-(-)-Carvone, 98%
l-p-Mentha-1(6),8-dien-2-one
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one
(-)-p-Mentha-6,8-dien-2-one
(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
(4R)-p-mentha-1(6),8-dien-2-one
p-Mentha-6,8-dien-2-one, (-)-
(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
(R)-(-)-p-Mentha-6,8-dien-2-one
(R)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-,(R)-
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (theta)-
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)- (9CI)
Microorganism:

Yes

IUPAC name(5R)-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-/m1/s1
FormulaC10H14O
PubChem ID439570
Molweight150.221
LogP2.55
Atoms25
Bonds25
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes ketones

mVOC Specific Details

Boiling Point
DegreeReference
230-231 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 329
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