2-Undecenal

C₁₁H₂₀OCAS 2463-77-6168.28 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₁₁H₂₀O
Molar mass: 168.28 g/mol
Exact mass: 168.1514 Da
Density: 0.837–0.847 g/mL
Boiling point: 115–117 °C (at 10 Torr)
logP: 3.49Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H317 May cause an allergic skin reaction88.1% of notifiers
H319 Causes serious eye irritation88.1% of notifiers
H411 Toxic to aquatic life with long lasting effects12.6% of notifiers
H412 Harmful to aquatic life with long lasting effects79.4% of notifiers

Aggregated from 1,635 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

2463-77-6

SMILES

CCCCCCCCC=CC=O

InChIKey

PANBRUWVURLWGY-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Octylacrolein

Work with 2-Undecenal

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.

(E)-2-Undecenal53448-07-0Defined stereoisomer

Similar compounds

2-Nonenal18829-56-6100 % similar 2-Dodecenal20407-84-5100 % similar 2-Nonenal2463-53-8100 % similar (2E)-Decenal3913-81-3100 % 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

Ethyl linalool10339-55-6 10-Undecenal112-45-8 2-n-Butyl-2-methylcyclohexanone1197-78-0 2-Hexylcyclopentanone13074-65-2 4-tert-Amylcyclohexanone16587-71-6 10-Undecyn-1-ol2774-84-7 4-Pentylcyclohexanone61203-83-6

Elsewhere

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