Basic information
- CAS
5417-30-1- Standard SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OCCCC- InChIKey
UJMGZZUDBFIODG-UHFFFAOYSA-N- Molecular formula
- C22H44O3
- Average molar mass
- 356.6 g/mol
- Monoisotopic mass
- 356.32904526
Names & identifiers
- Preferred name
- Butyl 12-hydroxyoctadecanoate
- IUPAC
- butyl 12-hydroxyoctadecanoate
- English name
- butyl 12-hydroxyoctadecanoate
- Molecular formula
- C22H44O3
- Molecular weight
- 356.58
Names & synonyms
Butyl 12-hydroxyoctadecanoate5417-30-1NSC7400EINECS 226-517-3butyl 12-hy-droxystearateSCHEMBL1683778UJMGZZUDBFIODG-UHFFFAOYSA-NDTXSID401260641NSC 7400NSC-7400NS00044265Octadecanoic acid, 12-hydroxy-, butyl ester
Show more names
12-Hydroxystearic acid butyl ester12-Hydroxyoctadecanoic acid butyl ester
Database identifiers
- CAS
5417-30-1- PubChem CID
- 95409
- DTXSID
DTXSID401260641- EC Number
- 226-517-3
- Nikkaji
- J217.992J
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 442 · 442.0±18.0 °C(Predicted)
- Density
- 0.907 · 0.907±0.06 g/cm3(Predicted)
- pka
- 15.4 · 15.40±0.20(Predicted)
- LogP
- 7.894 · 7.894 (est)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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