Ethyl linolenate

C₂₀H₃₄O₂CAS 1191-41-9306.49 g/mol

Properties

Molecular formula: C₂₀H₃₄O₂
Molar mass: 306.49 g/mol
Exact mass: 306.2559 Da
Density: 0.8919 g/mL (at 25 °C)
Boiling point: 197 °C (at 6.5 Torr)
Flash point: 112.8 °C
logP: 6.14Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 14

Hazards

Not classified as hazardous under GHS by 99 ECHA notifiers. Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1191-41-9

SMILES

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

InChIKey

JYYFMIOPGOFNPK-AGRJPVHOSA-N

InChI

InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-

Weigh it out

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

Names and synonyms

8 names

9,12,15-Octadecatrienoic acid, ethyl ester, (9Z,12Z,15Z)-
Linolenic acid, ethyl ester
9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)-
Ethyl cis,cis,cis-9,12,15-octadecatrienoate
Ethyl α-linolenate
Ethyl (Z,Z,Z)-9,12,15-octadecatrienoate
Ethyl linolenoate
(Z,Z,Z)-9,12,15-Octadecatrienoic acid ethyl ester

Work with Ethyl linolenate

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

Ethyl eicosapentaenoate86227-47-691 % similar Ethyl 4,7,10,13,16,19-docosahexaenoate84494-72-479 % similar Ethyl linoleate544-35-478 % similar Ethyl arachidonate1808-26-070 % similar Methyl linolenate301-00-870 % similar Ethyl oleate111-62-669 % similar Diethyl sebacate110-40-763 % similar Diethyl pimelate2050-20-663 % similar

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

Same formula

(1S,2E,4S,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol57605-80-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook