Basic information
- CAS
68937-90-6- Standard SMILES
C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CC(=O)O/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CC(=O)O/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CC(=O)O- InChIKey
CFQZKFWQLAHGSL-FNTYJUCDSA-N- Molecular formula
- C54H56O6
- Average molar mass
- 801 g/mol
Names & identifiers
- Preferred name
- (3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-octadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoic acid
- IUPAC
- (3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-octadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoic acid
- English name
- Trilinoleic acid
- Molecular formula
- C54H56O6
- Molecular weight
- 801.01884
Names & synonyms
(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-octadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoic acidSCHEMBL4212865CFQZKFWQLAHGSL-FNTYJUCDSA-NTrilinoleic acidFettsure, C18 ungesttigt, trimerFatty acids, C18-unsatd., trimersC18-UNSATURATED FATTY ACID TRIMERS)fatty acids, C18-unsaturated trimers(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3E,5E,7E,9E,11E,13E,15E)-octadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoyl]oxyoctadeca-3,5,7,9,11,13,15,17-octaenoicaci
Database identifiers
- CAS
68937-90-6- PubChem CID
- 6437702
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,940
Physicochemical properties
- vapor pressure
- 0 · 0-0.029Pa at 25℃
- LogP
- 2.2 · 2.2-20.64 at pH2
- Indirect Additives used in Food Contact Substances
- FATTY ACIDS(C18), UNSATURATED, TRIMERS
- FDA 21 CFR
- 178.391 · 178.3910
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 18 · Fatty acids, C18-unsatd., trimers (68937-90-6)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Suppliers44 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
武汉吉业升化工有限公司15387013945 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
武汉吉业升化工有限公司13545274181 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
武汉吉业升化工有限公司15927657268 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
Related reactions
2 records
Compound notes
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