Basic information
- CAS
2091-39-6- Standard SMILES
CCCCCC=CCC=CCCCCCCCCCC(=O)O- InChIKey
XSXIVVZCUAHUJO-UHFFFAOYSA-N- Molecular formula
- C20H36O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.27153039
Overview
eicosa-11,14-dienoic acid has been reported in Thymbra capitata with data available.
Names & identifiers
- Preferred name
- 11,14-Eicosadienoic acid
- IUPAC
- icosa-11,14-dienoic acid
- English name
- 11c,14C-Eicosadienoic acid
- Molecular formula
- C20H36O2
- Molecular weight
- 308.5
Names & synonyms
icosa-11,14-dienoic acid11,14-Eicosadienoic acid2091-39-611,14-Eicosadienoicacid(11Z,14Z)-eicosadienoic acidCBiol_001980KBioGR_000046KBioSS_000046SCHEMBL278059orb1299629orb3025589KBio2_000046
Show more names
EICOSADIENOIC ACIDeicosa-11,14-dienoic acidCIS-11,14-EICOSADIENOIC ACID20:2ω620:2(11Z,14Z)11-14 EICOSADIENOICC20:2 11-14 Eicosadienoic11Z,14Z-EICOSADIENOIC ACIDEthyl Acetate Impurity 106
KBio2_002614KBio2_005182KBio3_000091KBio3_000092XSXIVVZCUAHUJO-UHFFFAOYSA-NBio1_000266Bio1_000755Bio1_001244
Database identifiers
- CAS
2091-39-6- PubChem CID
- 3208
- DTXSID
DTXSID101312766- EC Number
- 680-553-8
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
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-
- InChIKey
- XSXIVVZCUAHUJO-HZJYTTRNSA-N
- SMILES
- CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O
- CAS DataBase Reference
- 2091 · 2091-39-6(CAS DataBase Reference)
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.
Suppliers49 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Related reactions
9 records
Compound notes
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