Erucic acid

C₂₂H₄₂O₂CAS 112-86-7338.58 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₂₂H₄₂O₂
Molar mass: 338.58 g/mol
Exact mass: 338.3185 Da
Density: 0.86 g/mL (at 55 °C)
Melting point: 33.8 °C
Boiling point: 265 °C (at 15 Torr)
logP: 7.67Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 19

Hazards

Warning

H315 Causes skin irritation61.1% of notifiers
H319 Causes serious eye irritation59.7% of notifiers
H335 May cause respiratory irritation56.9% of notifiers

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

112-86-7

SMILES

CCCCCCCC/C=CCCCCCCCCCCCC(=O)O

InChIKey

DPUOLQHDNGRHBS-KTKRTIGZSA-N

InChI

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

Weigh it out

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

Names and synonyms

15 names · show all

13-Docosenoic acid, (13Z)-
13-Docosenoic acid, (Z)-
(13Z)-13-Docosenoic acid
cis-13-Docosenoic acid
δ13-cis-Docosenoic acid
13-cis-Docosenoic acid
(Z)-13-Docosenoic acid
13(Z)-Docosenoic acid
Hystrene 2290
cis-13-Erucic acid
(13Z)-Docosenoic acid
Nouracid RE 07
Jaric 22:1
Prifrac 2990
(Z)-Erucic acid

Reactions

ERUCIC ACID (Hydrolysis of Rape-Seed Oil)product

Work with Erucic 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 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.

Brassidic acid506-33-2Defined stereoisomer

Similar compounds

Elaidic acid112-79-8100 % similar Oleic acid112-80-1100 % similar Palmitoleic acid373-49-9100 % similar 9-Eicosenoic acid506-31-0100 % similar Nervonic acid506-37-6100 % similar 11-Eicosenoic acid5561-99-9100 % similar Petroselinic acid593-39-5100 % similar Vaccenic acid693-72-1100 % similar

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

Same formula

Butyl oleate142-77-8 Stearyl methacrylate32360-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia