2-Methyl-2-pentenal

C₆H₁₀OCAS 623-36-998.14 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
Density: 0.8626 g/mL (at 19 °C)
Boiling point: 136.5 °C
logP: 1.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H317 May cause an allergic skin reaction93.6% of notifiers
H318 Causes serious eye damage93.9% of notifiers
H331 Toxic if inhaled93.9% of notifiers
H412 Harmful to aquatic life with long lasting effects93.6% of notifiers

Aggregated from 1,582 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

623-36-9

SMILES

CCC=C(C)C=O

InChIKey

IDEYZABHVQLHAF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

2-Pentenal, 2-methyl-
α-Methyl-β-ethylacrolein
2-Methyl-2-pentene-1-al
2-Methyl-3-ethylacrolein
β-Ethyl-α-methylacrolein
2-Methyl-2-penten-1-al
NSC 9464
2,4-Dimethylcrotonaldehyde
2-Methyl-2-pentanal

Work with 2-Methyl-2-pentenal

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.

(E)-2-Methyl-2-pentenal14250-96-5

Similar compounds

4-(Acetyloxy)-2-methyl-2-butenal14918-80-047 % similar trans-2-Methyl-2-butenal497-03-046 % similar 2-Methyl-2-pentene625-27-443 % similar (E)-2-Methyl-2-pentenoic acid16957-70-337 % similar 2-Methylpent-2-en-1-oic acid3142-72-137 % similar α-Methylcinnamaldehyde101-39-335 % similar Propionaldehyde123-38-635 % similar Ethylacrolein922-63-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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