3-Methyl-2-cyclopenten-1-one
Properties
- Molecular formula
- C6H8O
- Molar mass
- 96.13 g/mol
- Exact mass
- 96.0575 Da
- Density
- 0.9467 g/mL (at 15 °C)
- Melting point
- 76–77 °C
- Boiling point
- 157.5 °C
- logP
- 1.30Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H227 Combustible liquid20% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
2758-18-1SMILES
CC1=CC(=O)CC1InChIKey
CHCCBPDEADMNCI-UHFFFAOYSA-NInChI
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 2-Cyclopenten-1-one, 3-methyl-
- 3-Methyl-2-cyclopentenone
- 3-Methyl-2-cyclopentene-1-one
- Nussol
- 3-Methylcyclopenten-2-one
Work with 3-Methyl-2-cyclopenten-1-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
Similar compounds
3-Methyl-2-cyclohexen-1-one1193-18-673 % similar
Isophorone78-59-146 % similar
1,4-Cyclohex-2-enedione4505-38-843 % similar
3-Acetoxy-2-cyclohexen-1-one57918-73-740 % similar
Geranic acid459-80-336 % similar
3-Amino-2-cyclohexen-1-one5220-49-536 % similar
3-Ethoxycyclohex-2-ene-1-one5323-87-535 % similar
Terpinolene586-62-931 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.