Basic information
- CAS
821-16-9- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCO- InChIKey
ZUFBWTZQHUODCE-UHFFFAOYSA-N- Molecular formula
- C19H38O3
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.28209507
Names & identifiers
- Preferred name
- 3-Hydroxypropyl hexadecanoate
- IUPAC
- 3-hydroxypropyl hexadecanoate
- English name
- Hexadecanoic acid 3-hydroxypropyl ester
- Molecular formula
- C19H38O3
- Molecular weight
- 314.5
Names & synonyms
3-hydroxypropyl hexadecanoate821-16-9DTXSID40647392RefChem:279974DTXCID905981431-Palmitoyl-1,3-propandiol3-hydroxypropyl palmitate1-Hexadecanoyl-1,3-propandiolSCHEMBL2800226SCHEMBL23064100FP159669P-1160
Show more names
1,3-Propanediol palmitate1,3-Propanediol hexadecanoatePalmitic acid 3-hydroxypropyl esterHexadecanoic acid 3-hydroxypropyl ester
Database identifiers
- CAS
821-16-9- PubChem CID
- 24802448
- DTXSID
DTXSID40647392- Nikkaji
- J115.060J
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 42 · 42-43.5 °C
- Boiling point
- 387.4 · 387.4±15.0 °C(Predicted)
- Density
- 0.916 · 0.916±0.06 g/cm3(Predicted)
- pka
- 14.69 · 14.69±0.10(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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