1-Penten-3-one

C5H8OCAS 1629-58-984.12 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.9425 g/mL (at 0 °C)
Melting point
59–61 °C
Boiling point
103 °C
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)

Aggregated from 1,577 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
1629-58-9
SMILES
C=CC(=O)CC
InChIKey
JLIDVCMBCGBIEY-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3

Weigh it out

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

Names and synonyms

4 names
  • Ethyl vinyl ketone
  • Vinyl ethyl ketone
  • 4-Penten-3-one
  • NSC 81211

Work with 1-Penten-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

Similar compounds

Oct-1-en-3-one4312-99-652 % similar 4-Hexen-3-one2497-21-450 % similar Ethyl 3-oxopent-4-enoate22418-80-048 % similar Vinyl propionate105-38-444 % similar Allyl propionate2408-20-041 % similar Ethyl acrylate140-88-539 % similar Propionic anhydride123-62-638 % similar Methyl vinyl ketone78-94-438 % 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 4-Pentenal2100-17-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook