Results for:
PubChem ID: 26447

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

Mass-Spectra

Compound Details

Synonymous names
(-)-Menthone
MENTHONE
14073-97-3
l-MENTHONE
(2S,5R)-2-isopropyl-5-methylcyclohexanone
trans-Menthone
p-Menthone
89-80-5
Neomenthone
Menthone racemic
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-
L-Menthan-3-one
DL-Menthone
trans-Menthan-3-one
trans-p-Menthan-3-one
(1R,4S)-(-)-p-Menthan-3-one
p-Menthan-3-one, trans-
FEMA No. 2667
(-)-(2S,5R)-Menthone
(1R,4S)-p-menthan-3-one
(2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanone
(2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
(2S-trans)-5-methyl-2-(1-methylethyl)cyclohexanone
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-
(-)-(1R,4S)-menthone
(2S,5R)-5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANONE
DTXSID3044384
CHEBI:15410
(-)-5-Methyl-2-(1-methylethyl)cyclohexanone
5F709W4OG4
(2S,5R)-5-Methyl-2-(Propan-2-Yl)Cyclohexan-1-One
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-
Menthone (natural)
DTXCID1024384
p-Menthan-3-one racemic
(dl)-Menthone
5-Methyl-2-(1-methylethyl)cyclohexanone
CAS-14073-97-3
CCRIS 5747
HSDB 1268
p-Menthan-3-one, dl-
EINECS 201-941-1
EINECS 214-049-2
UNII-9NH5J4V8FN
menthon
UNII-5F709W4OG4
AI3-11106
Menthone G
MFCD00062998
trans-p-menthone
1-menthone
(-)menthone
5-Methyl-2-(1-methylethyl)cyclohexanone, trans-
NCGC00095606-01
Cyclohexan-1-one, 2-isopropyl-5-methyl-, racemic
EINECS 237-926-1
Menthan-3-one, trans
Spectrum_001299
rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone
(-)-Menthone,(S)
MENTHONE [FHFI]
SpecPlus_000437
MENTHONE, L-
L-MENTHONE [MI]
Spectrum2_000691
Spectrum3_001272
Spectrum4_001648
Spectrum5_000495
(2S,5R)-2-isopropyl-5-methyl-cyclohexanone
bmse000375
(-)-Menthone, 90%
EC 237-926-1
9NH5J4V8FN
SCHEMBL21709
BSPBio_002864
KBioGR_002115
KBioSS_001779
MENTHONE, (-)-
SPECTRUM300564
DivK1c_006533
SPBio_000841
(1S)-trans-p-menthan-3-one
(-)-MENTHONE [FCC]
CHEMBL276311
DTXSID2044478
KBio1_001477
KBio2_001779
KBio2_004347
KBio2_006915
KBio3_002364
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(+/-)-
(-)-Menthone, analytical standard
HY-N7916
Tox21_111510
Tox21_302153
CCG-38562
MFCD00136033
AKOS006343213
Tox21_111510_1
LMPR0102090004
MCULE-4105322469
SDCCGMLS-0066582.P001
2-Isopropyl-5-methylcyclohexanone, trans
NCGC00095606-02
NCGC00178425-01
NCGC00255957-01
1ST40039
AS-17440
(2S,5R)2-isopropyl-5-methylcyclohexanone
CS-0138798
1-METHYL-4-ISOPROPYLCYCLOHEXAN-3-ONE
C00843
EN300-383879
G66775
(-)-Menthone (contains up to 15% D-Menthone)
(2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one
(2S, 5R)-trans-2-isopropyl-5-methylcyclohexanone
Q424902
SR-05000002387
5-Methyl-2-(1-methylethyl)-(2S,5R)-Cyclohexanone
pound inverted exclamation markA pound(c)-Menthone
SR-05000002387-1
W-108194
5-Methyl-2-(1-methylethyl)-(2S-trans)-Cyclohexanone
(-)-Menthone, primary pharmaceutical reference standard
rel-(2S,5R)-5-methyl-2-(1-methylethyl)-cyclohexanone
Z1201619246
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:

No

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
Molweight154.25
LogP2.7
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones terpenes
CHEBI-ID36503
Supernatural-IDSN0244076-01

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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaGanoderma LucidumnaGC/MSno