Hexaglyceryl tristearate
Basic information
- CAS
71185-87-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)COC[C@@H](COC[C@H](O)COC[C@@H](COC[C@@H](CO)OC(=O)CCCC)OC(=O)CC)OC(=O)CCC- InChIKey
SBFLFRSXNYZPEH-YMKFFAQDSA-N- Molecular formula
- C48H90O17
- Average molar mass
- 939.2 g/mol
- Monoisotopic mass
- 938.6178014
Names & identifiers
- Preferred name
- Hexaglyceryl tristearate
- IUPAC
- [(2R)-3-[(2S)-3-[(2S)-2-butanoyloxy-3-[(2R)-2-hydroxy-3-[(2S)-3-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]-2-propanoyloxypropoxy]propoxy]propoxy]-2-hydroxypropoxy]-2-hydroxypropyl] octadecanoate
- English name
- POLYGLYCERYL-6 TRISTEARATE
- Molecular formula
- C72H140O16
- Molecular weight
- 1134.89
Names & synonyms
Hexaglycerol tristearateHexaglyceryl tristearate71185-87-0DTXSID101015132RefChem:146018DTXCID301473439[(2R)-3-[(2S)-3-[(2S)-2-butanoyloxy-3-[(2R)-2-hydroxy-3-[(2S)-3-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]-2-propanoyloxypropoxy]propoxy]propoxy]-2-hydroxypropoxy]-2-hydroxypropyl] octadecanoateOctadecanoic acid, triester with hexaglycerolSCHEMBL28343980SBFLFRSXNYZPEH-YMKFFAQDSA-NNS00125227(2R,6S,10S,14R,18S,22R)-10-(Butanoyloxy)-2,6,14-trihydroxy-22-(hydroxymethyl)-24-oxo-18-(propanoyloxy)-4,8,12,16,20,23-hexaoxaoctacosan-1-yl octadecanoate
Show more names
POLYGLYCERYL-6 TRISTEARATE
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 52
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Cosmetics Ingredients Functions
- SURFACTANT - EMULSIFYING
- LogP
- 10.155 · 10.155 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Hexaglycerol tristearate (71185-87-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, triester with hexaglycerol: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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