Decanoic acid, mixed triesters with octanoic acid and pentaerythritol
Basic information
- CAS
68441-68-9- Standard SMILES
CCCCCCCC(=O)O.CCCCCCCCCC(=O)O.OCC(CO)(CO)CO- InChIKey
GFFYVKLAGBXHIN-UHFFFAOYSA-N- Molecular formula
- C23H48O8
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.33491849
Names & identifiers
- Preferred name
- Decanoic acid, mixed triesters with octanoic acid and pentaerythritol
- IUPAC
- 2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acid
- English name
- Decanoic acid, mixed esters with octanoic acid and pentaerythritol
- Molecular formula
- C23H48O8
- Molecular weight
- 452.63
Names & synonyms
EINECS 297-011-893281-00-6RefChem:131218297-011-82,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acidSCHEMBL3665596DTXSID201379428NPEPENTAERYTHRITYL TETRACAPRYLATE/TETRACAPRATEPentaerythrityl TetracaprylateDecanoic/octanoic acid pentaerythrityl esterdecanoic/octanoic acid, esters with pentaerythritol
Show more names
Decansaure, gemischte Ester mit Octansaure und PentaerythritolDecanoic acid, mixed esters with octanoic acid and pentaerythritol
Database identifiers
- CAS
68441-68-9、93281-00-6- PubChem CID
- 110260
- DTXSID
DTXSID201379428- EC Number
- 297-011-8
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Odor
- 100 % · at 100.00%. bland
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- FDA UNII
- 832 C4KF14X · 832C4KF14X
- EPA Substance Registry System
- Pentaerythritol caprylic acid capric acid mixed esters (68441-68-9)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
- REACH Registrations
- Active
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…