2-Nonenal

C₉H₁₆OCAS 2463-53-8140.23 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₉H₁₆O
Molar mass: 140.23 g/mol
Exact mass: 140.1201 Da
Density: 0.898 g/mL (at 21 °C)
Boiling point: 115–117 °C (at 35 Torr)
logP: 2.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 1,550 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

2463-53-8

SMILES

CCCCCCC=CC=O

InChIKey

BSAIUMLZVGUGKX-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3

Weigh it out

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

Names and synonyms

2 names

2-Nonen-1-al
NSC 20746

Work with 2-Nonenal

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 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.

2-Nonenal18829-56-6Defined stereoisomer

Similar compounds

2-Dodecenal20407-84-5100 % similar 2-Undecenal2463-77-6100 % similar (2E)-Decenal3913-81-3100 % similar (E)-2-Undecenal53448-07-0100 % similar (E)-2-Octenal2548-87-095 % similar (E,E)-2,4-Dodecadienal21662-16-884 % similar 2,4-Undecadienal30361-29-684 % similar trans-2-Heptenal18829-55-583 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexylacetone103-78-6 (+-)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2

Elsewhere

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