Eicosa-11,14-dienoic acid
Basic information
- CAS
2091-39-6- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O- InChIKey
XSXIVVZCUAHUJO-AVQMFFATSA-N- Molecular formula
- C20H36O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.27153039
Overview
Eicosa-11,14-dienoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- Eicosa-11,14-dienoic acid
- IUPAC
- (11E,14E)-icosa-11,14-dienoic acid
- English name
- 11c,14C-Eicosadienoic acid
- Molecular formula
- C20H36O2
- Molecular weight
- 308.5
Names & synonyms
Eicosa-11,14-dienoic acidn-6 eicosadienoic acidRefChem:590631delta11,14-20:2680-553-811,14-Eicosadienoic acid2091-39-6(11E,14E)-icosa-11,14-dienoic acid11C,14C-EICOSADIENOICACID11(Z),14(Z)-Eicosadienoic Acid11, 14-icosadienoic acid11C 14C-Eicosadienoic Acid
Show more names
EICOSADIENOIC ACIDCIS-11,14-EICOSADIENOIC ACID20:2ω620:2(11Z,14Z)11-14 EICOSADIENOICC20:2 11-14 Eicosadienoic11Z,14Z-EICOSADIENOIC ACIDEthyl Acetate Impurity 106
eicosa-11z,14z-dienoic acidall-cis-11,14-eicosadienoic acidC20:2n-6,9HOMO-GAMMA-LINOLEICACID11,14-trans-Eicosadienoic acid11,14-EicosadienoicacidMFCD00673431Eicosadienoic acid?
Database identifiers
- CAS
2091-39-6- PubChem CID
- 5282805
- ChEBI
CHEBI:93415- EC Number
- 680-553-8
- Nikkaji
- J490.377C
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Boiling point
- 198 °C0.08 · 198 °C0.08 mm Hg(lit.)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- Flash point
- 62 °C · 62 °C
- storage temp.
- -20 °C · -20°C
- solubility
- 0.15 M · 0.15 M Tris-HCl pH 8.5: >1 mg/ml (from Oleic Acid); DMF: >100 mg/ml (from Oleic Acid); DMSO: >100 mg/ml (from Oleic Acid); Ethanol: >100 mg/ml (from Oleic Acid); PBS pH 7.2: <100 μg/ml (from Oleic Acid)
- form
- liquid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- Colorless to light yellow
- biological source
- plant
- Major Application
- food and beverages
- InChI
- 1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses11,14-Eicosadienoic Acid is studied in metabolic profiling of human colorectal cancer.
Additional notes
DefinitionChEBI: Eicosa-11,14-dienoic acid is a long-chain fatty acid.
Suppliers
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Compound notes
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