Hexadecyl 4-hydroxybenzoate
Basic information
- CAS
71067-09-9- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1- InChIKey
SJNCMISSTSMUFF-UHFFFAOYSA-N- Molecular formula
- C23H38O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.28209507
Names & identifiers
- Preferred name
- Hexadecyl 4-hydroxybenzoate
- IUPAC
- hexadecyl 4-hydroxybenzoate
- English name
- 4-Hydroxybenzoic acid hexadecyl ester
- Molecular formula
- C23H38O3
- Molecular weight
- 362.55
Names & synonyms
71067-09-9hexadecyl 4-hydroxybenzoateDTXSID80316979RefChem:347479DTXCID402681024-HYDROXYBENZOIC ACID HEXADECYL ESTERNSC309825Benzoic acid, 4-hydroxy-, hexadecyl esterpalmityl 4-hydroxybenzoateSCHEMBL1042112SJNCMISSTSMUFF-UHFFFAOYSA-N4-Hydroxybenzoic acid hexadecylester
Show more names
NSC-309825DB-316618
Database identifiers
- CAS
71067-09-9- PubChem CID
- 328883
- DTXSID
DTXSID80316979- Nikkaji
- J169.220H
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 52.5 · 52.5-53.0 °C
- Boiling point
- 454.14 °C · 454.14°C (rough estimate)
- Density
- 0.971 · 0.971
- refractive index
- 1.548 · 1.5480 (estimate)
- pka
- 8.22 · 8.22±0.15(Predicted)
- Water Solubility
- 378.9 mg/L · 378.9mg/L(25 ºC)
- 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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-hydroxy-, hexadecyl ester: ACTIVE
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Compound notes
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