2-Dodecenal

C₁₂H₂₂OCAS 20407-84-5182.31 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₁₂H₂₂O
Molar mass: 182.31 g/mol
Exact mass: 182.1671 Da
Density: 0.839–0.849 g/mL
Boiling point: 73–74 °C (at 0.5 Torr)
logP: 3.88Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 9
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction81.2% of notifiers
H319 Causes serious eye irritation> 99.9% of notifiers
H400 Very toxic to aquatic life84.9% of notifiers

Aggregated from 1,644 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

20407-84-5

SMILES

CCCCCCCCC/C=C/C=O

InChIKey

SSNZFFBDIMUILS-ZHACJKMWSA-N

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+

Weigh it out

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

Names and synonyms

8 names

(E)-2-Dodecenal
2-Dodecenal, (2E)-
2-Dodecenal, (E)-
(2E)-2-Dodecenal
2-trans-Dodecenal
trans-2-Dodecenal
trans-2-Dodecen-1-al
(E)-2-Dodecen-1-al

Work with 2-Dodecenal

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

Similar compounds

2-Nonenal18829-56-6100 % similar 2-Nonenal2463-53-8100 % similar 2-Undecenal2463-77-6100 % similar (E)-2-Decenal3913-81-3100 % similar (E)-2-Undecenal53448-07-0100 % similar (E)-2-Octenal2548-87-095 % similar (E,E)-2,4-Dodecadienal21662-16-884 % similar (2E,4E)-2,4-Undecadienal30361-29-684 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Heptylcyclopentanone137-03-1 13-Oxabicyclo[10.1.0]tridecane286-99-7 Codlemone33956-49-9 Geranyl ethyl ether40267-72-9 Cyclododecanone830-13-7

Elsewhere

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