Alpha-linolenic acid

C₁₈H₃₀O₂CAS 463-40-1278.44 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₈H₃₀O₂
Molar mass: 278.44 g/mol
Exact mass: 278.2246 Da
Density: 0.9157 g/mL (at 20 °C)
Melting point: −16.5 °C
Boiling point: 231 °C
Flash point: 112.8 °C
Water solubility: < 1 g/L (22.2 °C)
logP: 5.66Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 13

Hazards

Warning

H317 May cause an allergic skin reaction10.4% of notifiers

Aggregated from 2,305 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

463-40-1

SMILES

CC/C=CC/C=CC/C=CCCCCCCCC(=O)O

InChIKey

DTOSIQBPPRVQHS-PDBXOOCHSA-N

InChI

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

Weigh it out

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

Names and synonyms

16 names · show all

9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-
Linolenic acid
9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid
All-cis-9,12,15-Octadecatrienoic acid
α-Linolenic acid
Cis,cis,cis-9,12,15-Octadecatrienoic acid
cis-9,cis-12,cis-15-Octadecatrienoic acid
cis-δ9,12,15-Octadecatrienoic acid
9,12,15-All-cis-Octadecatrienoic acid
9-Cis,12-cis,15-cis-Octadecatrienoic acid
(Z,Z,Z)-Octadeca-9,12,15-trienoic acid
(All-Z)-9,12,15-Octadecatrienoic acid
9Z,12Z,15Z-Octadecatrienoic acid
18:3n-3
BRD-K33396764

Reactions

Linolenic acidproduct

Work with Alpha-linolenic acid

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

Similar compounds

Eicosapentaenoic acid10417-94-487 % similar 11,14-Eicosadienoic acid2091-39-676 % similar 4,7,10,13,16,19-Docosahexaenoic acid2091-24-975 % similar Docosahexaenoic acid6217-54-575 % similar Arachidonic acid506-32-169 % similar Elaidic acid112-79-868 % similar Oleic acid112-80-168 % similar Erucic acid112-86-768 % similar

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

Same formula

4-Dodecylresorcinol24305-56-4 Gamma-linolenic acid506-26-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia