p-Menthan-3-one
Properties
- Molecular formula
- C10H18O
- Molar mass
- 154.25 g/mol
- Exact mass
- 154.1358 Da
- Density
- 0.8975 g/mL (at 20 °C)
- Melting point
- 25.02 °C
- Boiling point
- 210 °C
- logP
- 2.65Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation88.8% of notifiers
- H317 May cause an allergic skin reaction88.8% of notifiers
Aggregated from 1,631 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P501
Identifiers
CAS number
10458-14-7SMILES
CC1CCC(C(C)C)C(=O)C1InChIKey
NFLGAXVYCFJBMK-UHFFFAOYSA-NInChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-
- 5-Methyl-2-(1-methylethyl)cyclohexanone
- 2-Isopropyl-5-methylcyclohexanone
- 5-Methyl-2-isopropylcyclohexanone
- NSC 113134
- NSC 9280
Work with p-Menthan-3-one
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
p-Mentha-8-thiol-3-one38462-22-546 % similar
3-Methylcyclopentanone1757-42-240 % similar
Rikacid MH19438-60-938 % similar
(RS)-3-Methylcyclohexanone591-24-238 % similar
Beta-Methyl-delta-valerolactone1121-84-236 % similar
Curdione13657-68-636 % similar
P-Menthane99-82-136 % similar
(+-)-3-Methyladipic acid3058-01-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.