Methyl propenyl ketone

C₅H₈OCAS 3102-33-884.12 g/mol

Open in Covalent MOL file

Alkene Ketone

Properties

Molecular formula: C₅H₈O
Molar mass: 84.12 g/mol
Exact mass: 84.0575 Da
Density: 0.86–0.865 g/mL
Boiling point: 122 °C
logP: 1.15Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor11.2% of notifiers
H312 Harmful in contact with skin96.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 1,448 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3102-33-8

SMILES

C/C=C/C(=O)C

InChIKey

LABTWGUMFABVFG-ONEGZZNKSA-N

InChI

InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+

Weigh it out

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

Names and synonyms

17 names · show all

(E)-Pent-3-en-2-one
3-Penten-2-one
(E)-3-Penten-2-one
Ethylidene acetone
trans-3-Penten-2-One
2-Oxo-3-pentene
3-Penten-2-one, (3E)-
Methyl 1-propenyl ketone
(3E)-Pent-3-en-2-one
Ethylideneacetone
FEMA No. 3417
3-Penten-2-one, (E)-
(3E)-Penten-2-one
(Z)-Pent-3-ene-2-one
2Oxo3pentene
Pent3en2one
Methyl 1propenyl ketone

Reactions

trans-3-PENTEN-2-ONE (3-Penten-2-one, trans-)product

Work with Methyl propenyl 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

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.

3-Penten-2-one625-33-2Stereo not defined

Similar compounds

6-Methylhepta-3,5-dien-2-one1604-28-048 % similar 4-Methoxy-3-buten-2-one4652-27-148 % similar 5-Methyl-3-hexen-2-one5166-53-048 % similar Methylglyoxal78-98-845 % similar 3-Hepten-2-one1119-44-444 % similar Mesityl oxide141-79-743 % similar Methyl vinyl ketone78-94-443 % similar 2-Butenoyl chloride10487-71-541 % 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