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CAS No.: | 3391-87-5 |
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Name: | (+)-Menthone |
Article Data: | 103 |
Molecular Structure: | |
Formula: | C10H18O |
Molecular Weight: | 154.252 |
Synonyms: | (2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexanone;p-Menthone;p-Menthan-3-one, (1S,4R)-(+)- (8CI);Cyclohexanone,5-methyl-2-(1-methylethyl)-, (2R-trans)-;Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-;rel-(2R,5S)-2-Isopropyl-5-methylcyclohexanone; |
EINECS: | 222-227-6 |
Density: | 0.881 g/cm3 |
Boiling Point: | 205 °C at 760 mmHg |
Flash Point: | 72.8 °C |
Safety: | 23-24/25 |
PSA: | 17.07000 |
LogP: | 2.64770 |
The Cyclohexanone,5-methyl-2-(1-methylethyl)-, (2R,5S)- with CAS registry number of 3391-87-5 is also known as (+)-Menthone. The IUPAC name is (2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexanone. Its EINECS registry number is 222-227-6. In addition, the formula is C10H18O and the molecular weight is 154.25. What's more, the storage temperature is 2-8 °C.
Physical properties about Cyclohexanone,5-methyl-2-(1-methylethyl)-, (2R,5S)- are: (1)ACD/LogP: 2.63; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.442; (5)Molar Refractivity: 46.37 cm3; (6)Molar Volume: 175 cm3; (7)Surface Tension: 27.2 dyne/cm; (8)Density: 0.881 g/cm3; (9)Flash Point: 72.8 °C; (10)Enthalpy of Vaporization: 44.12 kJ/mol; (11)Boiling Point: 205 °C at 760 mmHg; (12)Vapour Pressure: 0.256 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1CCC(C(=O)C1)C(C)C
2. Isomeric SMILES: C[C@H]1CC[C@@H](C(=O)C1)C(C)C
3. InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
4. InChIKey: NFLGAXVYCFJBMK-DTWKUNHWSA-N