1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixed esters with oleyl alc., pentaerythritol and stearic acid
Basic information
- CAS
68511-47-7- Standard SMILES
CCCCCCCC/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCCCC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(CO)(CO)CO- InChIKey
HLBBIPQMFTWDLL-DWEHOVEISA-N- Molecular formula
- C47H92O14
- Average molar mass
- 881.2 g/mol
- Monoisotopic mass
- 880.6487076
Names & identifiers
- Preferred name
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixed esters with oleyl alc., pentaerythritol and stearic acid
- IUPAC
- 2,2-bis(hydroxymethyl)propane-1,3-diol;2-hydroxypropane-1,2,3-tricarboxylic acid;octadecanoic acid;(Z)-octadec-9-en-1-ol
Names & synonyms
RefChem:71398esters (chemical category)614-545-2
Database identifiers
- CAS
68511-47-7- PubChem CID
- 6437547
- EC Number
- 614-545-2
Properties
Computed structural properties
- Topological polar surface area
- 271 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 40
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 655
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixed esters with oleyl alc., pentaerythritol and stearic acid: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…