Basic information
- CAS
17630-08-9- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO- InChIKey
VURIDHCIBBJUDI-UHFFFAOYSA-N- Molecular formula
- C21H42O5
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.30322444
Names & identifiers
- Preferred name
- Hexadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- IUPAC
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] hexadecanoate
- English name
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl palmitate
- Molecular formula
- C21H42O5
- Molecular weight
- 374.55518
Names & synonyms
RefChem:786007Hexadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester3-Hydroxy-2,2-bis(hydroxymethyl)propyl palmitate17630-08-9[3-hydroxy-2,2-bis(hydroxymethyl)propyl] hexadecanoateEINECS 241-613-5SCHEMBL134077DTXSID40170110VURIDHCIBBJUDI-UHFFFAOYSA-N3-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL HEXADECANOATENS00025801Pentaerythritol palmitate
Show more names
O-palmitoyl-pentaerythritolPentaerythritol hexadecanoate2,2-Bis(hydroxymethyl)-1,3-propanediol 1-palmitate2,2-Bis(hydroxymethyl)-1,3-propanediol 1-hexadecanoatePalmitic acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Database identifiers
- CAS
17630-08-9
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 307
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 Information
Chemical: Hexadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Hexadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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