10,12-Octadecadienoic acid
Basic information
- CAS
1072-36-2- Standard SMILES
CCCCC/C=C/C=C/CCCCCCCCC(=O)O- InChIKey
GKJZMAHZJGSBKD-BLHCBFLLSA-N- Molecular formula
- C18H32O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.24023026
Overview
Octadeca-10,12-dienoic acid is a conjugated linoleic acid having double bonds at positions 10 and 12.
Names & identifiers
- Preferred name
- 10,12-Octadecadienoic acid
- IUPAC
- (10E,12E)-octadeca-10,12-dienoic acid
- English name
- GKJZMAHZJGSBKD-BLHCBFLLSA-N
- Molecular formula
- C18H32O2
- Molecular weight
- 280.44548
Names & synonyms
10,12-octadecadienoic acid(10E,12E)-octadeca-10,12-dienoic acid10,12-linoleic acidRefChem:90787422880-03-110E,12E-octadecadienoic acidMikusch's acid1072-36-2Linoleic Acid, Conjugated, CLAMFCD02259040C18:2n-6,8CIS-10,TRANS-12-CONJUGATEDLINOLEICACID
Show more names
GKJZMAHZJGSBKD-BLHCBFLLSA-N
10,12-Octadecadienoicacid, (10E,12Z)- (9CI)SCHEMBL635133Conjugated Linoleic Acid, 90%CHEBI:196532DTXSID601282338LMFA01030126trans-10-trans-12-octadecadienoic acidBP-29815
Database identifiers
- CAS
1072-36-2- PubChem CID
- 5282801
- DTXSID
DTXSID601282338- ChEBI
CHEBI:36331- Nikkaji
- J592.754D、J934.355E
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 56.5 °C · 56.5°C
- Boiling point
- 363.16 °C · 363.16°C (rough estimate)
- Density
- 0.8686 · 0.8686
- refractive index
- 1.4689 · 1.4689 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Octadeca-10,12-dienoic acid is a conjugated linoleic acid having double bonds at positions 10 and 12.
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Compound notes
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