Triethanolamine dioleate
Basic information
- CAS
54999-00-7- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CCO)CCOC(=O)CCCCCCC/C=C\CCCCCCCC- InChIKey
LKJAFAGFOFGLLS-CLFAGFIQSA-N- Molecular formula
- C42H79NO5
- Average molar mass
- 678.1 g/mol
- Monoisotopic mass
- 677.59582462
Names & identifiers
- Preferred name
- Triethanolamine dioleate
- IUPAC
- 2-[2-hydroxyethyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate
- English name
- [(2-hydroxyethyl)imino]di-2,1-ethanediyl dioleate
- Molecular formula
- C78H141NO9-2
- Molecular weight
- 1236.95544
Names & synonyms
triethanolamine dioleate54999-00-7EINECS 259-428-3UNII-40Q022F4GX40Q022F4GXNSC-127404NSC 1274049-OCTADECENOIC ACID (9Z)-, 1,1'-(((2-HYDROXYETHYL)IMINO)DI-2,1-ETHANEDIYL) ESTERRefChem:191493259-428-3(Z)-((2-Hydroxyethyl)azanediyl)bis(ethane-2,1-diyl) dioleate2-[2-hydroxyethyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate
Show more names
[(2-Hydroxyethyl)imino]di-2,1-ethandiyldioleat(Z)-((2-Hydroxyethylimino)bis(ethane-2,1-diyl))dioleate9-Octadecenoic acid (9Z)-, (2-hydroxyethyl)iminodi-2,1-ethanediyl ester9-Octadecenoic acid (Z)-, [(2-hydroxyethyl) imino]di-2,1-ethanediyl esterBis[(Z)-9-octadecenoic acid][(2-hydroxyethyl)imino]di-2,1-ethanediyl ester
C42H79NO5[(2-Hydroxyethyl)imino]di-2,1-ethanediyl dioleate((2-Hydroxyethyl)imino)di-2,1-ethanediyl dioleateMFCD23160511NSC1274041-ethanediyl dioleate[(2-hydroxyethyl)imino]di-2DTXSID20970352
Database identifiers
- CAS
54999-00-7- PubChem CID
- 6437403
- UNII
- 40Q022F4GX
- EC Number
- 259-428-3
- Nikkaji
- J326.718K
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 40
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- FDA UNII
- 40 Q022F4GX · 40Q022F4GX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information9-Octadecenoic acid (9Z)-, (2-hydroxyethyl)iminodi-2,1-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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