Cyclopropyl methyl ketone

C₅H₈OCAS 765-43-584.12 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₅H₈O
Molar mass: 84.12 g/mol
Exact mass: 84.0575 Da
Density: 0.8988 g/mL (at 20 °C)
Melting point: −68.3 °C
Boiling point: 111.3 °C
logP: 0.99Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor69.4% of notifiers
H301 Toxic if swallowed38.8% of notifiers
H302 Harmful if swallowed26.4% of notifiers
H318 Causes serious eye damage25.6% of notifiers
H319 Causes serious eye irritation38% of notifiers

Aggregated from 121 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P301+P317, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P321, P330, P337+P317, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

765-43-5

SMILES

CC(=O)C1CC1

InChIKey

HVCFCNAITDHQFX-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names

Ethanone, 1-cyclopropyl-
Ketone, cyclopropyl methyl
1-Cyclopropylethanone
Methyl cyclopropyl ketone
Acetylcyclopropane
NSC 1940
Cyclopropylethanone
1-Cyclopropylethan-1-one

Reactions

METHYL CYCLOPROPYL KETONE (Ketone, cyclopropyl methyl)product

Work with Cyclopropyl methyl ketone

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-Ethyl-2,4-pentanedione1540-34-745 % similar 3-Methyl-2,4-pentanedione815-57-645 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-944 % similar 3-Chloro-2,4-pentanedione1694-29-743 % similar 1,1-Difluoro-2-propanone431-05-043 % similar 1,1-Dichloroacetone513-88-243 % similar 2-Acetylcyclopentanone1670-46-842 % similar Dicyclopropyl ketone1121-37-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook