Cas no 36977-92-1 (isomenthone)
isomenthone structure
Product Name:isomenthone
CAS No:36977-92-1
MF:C10H18O
MW:154.249323368073
CID:921841
PubChem ID:6432469
Update Time:2025-04-19
isomenthone Chemical and Physical Properties
Names and Identifiers
-
- isomenthone
- isomenthon
- FEMA No. 3460
- (-)-Isomenthone (~80%)
- (2R,5R)-2-isopropyl-5-methylcyclohexanone, rel-
- 36977-92-1
- starbld0039823
- p-Menthan-3-one, cis-
- (-)-isomenthone
- p-Menthan-3-one, (Z)-
- (1R,4R)-p-menthan-3-one
- cis-5-Methyl-2-(1-methylethyl)-cyclohexanone
- Isomenthone, (-)-
- L-isomenthone
- (2S-cis)-5-methyl-2-(1-methylethyl)cyclohexanone
- EN300-157787
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5S)-
- EINECS 242-194-1
- cis-p-menthone
- 9WZ3E2G6CL
- DTXSID501315467
- 18309-28-9
- alpha-ISOMENTHONE
- BRN 3195564
- 5-Methyl-2-(1-methylethyl)cyclohexanone, (Z)-
- 491-07-6
- (2S,5S)-2-isopropyl-5-methylcyclohexanone
- (1S,4S)-(-)-p-menthan-3-one
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-
- (1)-Isomenthone
- Q27116856
- (2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one
- 2-Isopropyl-5-methyl-cyclohexanone, cis
- 5-Methyl-2-(1-methylethyl)cyclohexanone
- EINECS 207-727-4
- (1R,4R)-(+)-p-Menthan-3-one
- 1-Methyl-4-isopropyl-3-cyclohexanone, cis-
- NS00086041
- .alpha.-isomenthone
- (2S,5S)-2-Isopropyl-5-methylcyclohexan-1-one
- CS-0627180
- CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, CIS
- (1S,4S)-Isomenthone
- EINECS 253-295-5
- 11T7AFM2DS
- SCHEMBL4395963
- P-MENTHAN-3-ONE, CIS
- d,l-Isomenthone
- cis-p-Menthan-3-one
- (+/-)-cis-p-menthan-3-one
- 4-07-00-00087 (Beilstein Handbook Reference)
- (+-)-isomenthone
- UNII-11T7AFM2DS
- MFCD00136032
- (+/-)-isomenthone
- (1S,4S)-p-menthan-3-one
- (2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one
- 1074-95-9
- C17125
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (Z)-
- (2S,5S)-5-methyl-2-(propan-2-yl)cyclohexanone
- UNII-9WZ3E2G6CL
- DL-ISOMENTHONE [FHFI]
- (2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one
- dl-Isomenthone
- HY-N7259A
- cis-Menthone
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-
- CHEBI:36496
- Isomenthone, (+/-)-
-
- Inchi： 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
- InChI Key： NFLGAXVYCFJBMK-UHFFFAOYSA-N
- SMILES： CC(C1C(=O)CC(C)CC1)C
Computed Properties
- Exact Mass: 154.136
- Monoisotopic Mass: 154.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.7
Experimental Properties
- Density: 0.881
- Boiling Point: 210 deg C
- Flash Point: 72.8°C
- PSA: 17.07000
- LogP: 2.64770
- FEMA: 3460
isomenthone Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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