Results for:
PubChem ID: 26447

(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one

Mass-Spectra

Compound Details

Synonymous names
Neomenthone
MENTHONE
NFLGAXVYCFJBMK-BDAKNGLRSA-N
menthon
Menthone racemic
trans-Menthone
DL-Menthone
l-MENTHONE
Menthone G
p-Menthone
AC1Q1NQI
trans-p-menthone
AC1L1B5L
Menthone (natural)
UNII-9NH5J4V8FN component NFLGAXVYCFJBMK-BDAKNGLRSA-N
(dl)-Menthone
SCHEMBL21709
trans-Menthan-3-one
2-Isopropyl-5-methylcyclohexanone, trans
CTK3J2003
SPECTRUM300564
V0136
CHEMBL276311
L-Menthan-3-one
p-Menthan-3-one racemic
5F709W4OG4
bmse000375
C00843
CCRIS 5747
HSDB 1268
trans-p-Menthan-3-one
ZINC967796
AK325964
BT000179
DTXSID3044384
FCH920051
LS-2354
Menthan-3-one, trans
OR040867
OR241481
ZB015494
(-)-Menthone
CHEBI:15410
l-p-Menthan-3-one
SpecPlus_000437
Spectrum_001299
UNII-5F709W4OG4
(-)-Menthone, primary pharmaceutical reference standard
AJ-24551
AN-19251
ANW-41292
BSPBio_002864
CCG-38562
DSSTox_GSID_44384
KBioGR_002115
KBioSS_001779
PXT0000171
PXT0000172
PXT0000173
BB_NC-0294
DSSTox_CID_24384
DSSTox_RID_80188
MFCD00001634
MFCD00062998
MFCD00136033
SPBio_000841
Spectrum2_000691
Spectrum3_001272
Spectrum4_001648
Spectrum5_000495
ZINC00967796
(-)-Menthone, analytical standard
(2S,5R)-menthone
AI3-11106
RTR-005289
TR-005289
AKOS006343213
BB_NC-00294
DivK1c_006533
KBio1_001477
KBio2_001779
KBio2_004347
KBio2_006915
KBio3_002364
W-108194
FEMA No. 2667
89-80-5
LMPR0102090004
p-Menthan-3-one, trans-
Tox21_111510
Tox21_302153
p-Menthan-3-one, dl-
(2S,5R)-2-isopropyl-5-methylcyclohexanone
MCULE-4105322469
NCGC00095606-01
NCGC00095606-02
NCGC00178425-01
NCGC00255957-01
EINECS 201-941-1
EINECS 214-049-2
EINECS 237-926-1
(-)-Menthone, 90%
(1R,4S)-3-p-menthanone
14073-97-3
21060-23-1
rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone
SDCCGMLS-0066582.P001
(2S,5R)-2-isopropyl-5-methyl-cyclohexanone
5-Methyl-2-(1-methylethyl)cyclohexanone, trans-
SR-05000002387
Tox21_111510_1
CAS-14073-97-3
MolPort-001-793-642
(1R,4S)-p-menthan-3-one
Cyclohexan-1-one, 2-isopropyl-5-methyl-, racemic
(2S-trans)-5-methyl-2-(1-methylethyl)cyclohexanone
(-)-(1R,4S)-menthone
(-)-(2S,5R)-Menthone
(-)-5-Methyl-2-(1-methylethyl)cyclohexanone
SR-05000002387-1
L-Menthone, mixture of isomers, >=96%, FCC, FG
(2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-
(2S,5R)-5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANONE
(2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanone
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
(1R,4S)-(-)-p-Menthan-3-one
(2S,5R)-5-Methyl-2-(Propan-2-Yl)Cyclohexan-1-One
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-
CYCLOHEXANONE,5-METHYL-2-(1-METHYLETHYL)-, (2S,5R)-
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(.+/-.)-
1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s
InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s
Microorganism:

Yes

IUPAC name(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC1CCC(C(=O)C1)C(C)C
InchiInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
FormulaC10H18O
PubChem ID26447
Molweight154.253
LogP3.05
Atoms29
Bonds29
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes ketones

mVOC Specific Details

Boiling Point
DegreeReference
210 deg CGerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA11 172
Volatilization
The Henry's Law constant for menthone is estimated as 1.6X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that menthone 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 approximately 0.5 days(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 approximately 8 days(SRC). Menthone's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). Menthone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.28 mm Hg(SRC) determined from a fragment constant method(3).
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) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE (eds), Boca Raton,FL: CRC Press (1985)
Soil Adsorption
The Koc of menthone is estimated as approximately 120(SRC), using a water solubility of 688 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that menthone is expected to have high mobility in soil(SRC).
Literature: (1) Suzuki T; Computer-Aided Mol Design 5: 149-66 (1991) (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: 23 (1983)
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