Elaidic acid

C₁₈H₃₄O₂CAS 112-79-8282.47 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₈H₃₄O₂
Molar mass: 282.47 g/mol
Exact mass: 282.2559 Da
Density: 0.851 g/mL (at 79 °C)
Melting point: 45 °C
Boiling point: 360 °C
logP: 6.11Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 15
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 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

112-79-8

SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O

InChIKey

ZQPPMHVWECSIRJ-MDZDMXLPSA-N

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/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

9-Octadecenoic acid, (9E)-
9-Octadecenoic acid, (E)-
(9E)-9-Octadecenoic acid
trans-δ9-Octadecenoic acid
trans-9-Octadecenoic acid
9-trans-Octadecenoic acid
trans-Oleic acid
δ9-trans-Octadecenoic acid
(E)-Oleic acid
trans-Elaidic acid
(E)-9-Octadecenoic acid
Elaidinic acid
NSC 26988
(9E)-Octadecenoic acid
9-trans-Oleic acid

Work with Elaidic 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

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.

Oleic acid112-80-1Stereo not defined Potassium oleate143-18-0Salt, stereo not defined Sodium oleate143-19-1Salt, stereo not defined Cupric oleate1120-44-1Salt, stereo not defined

Similar compounds

Erucic acid112-86-7100 % similar Palmitoleic acid373-49-9100 % similar 9-Eicosenoic acid506-31-0100 % similar Brassidic acid506-33-2100 % similar Nervonic acid506-37-6100 % similar 11-Eicosenoic acid5561-99-9100 % similar 11,14-Eicosadienoic acid2091-39-690 % similar Zirconium oleate42040-79-990 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Z)-11-Hexadecenyl acetate34010-21-4 Petroselinic acid593-39-5 Vaccenic acid693-72-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia