Basic information
- CAS
50515-98-5- Standard SMILES
COC(=O)CCCCCCCCCCCCCO- InChIKey
VBKONVSYRQSMHY-UHFFFAOYSA-N- Molecular formula
- C15H30O3
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.21949481
Names & identifiers
- Preferred name
- Methyl 14-hydroxytetradecanoate
- IUPAC
- methyl 14-hydroxytetradecanoate
- English name
- Methyl 14-hydroxytetradecanoate
- Molecular formula
- C15H30O3
- Molecular weight
- 258.4
Names & synonyms
methyl 14-hydroxytetradecanoate50515-98-5DTXSID90531631RefChem:353470DTXCID20482420Tetradecanoic acid, 14-hydroxy-, methyl esterSCHEMBL2235775methyl 14-hydroxy-tetradecanoateVBKONVSYRQSMHY-UHFFFAOYSA-NMFCD31729307DB-187628F81015
Database identifiers
- CAS
50515-98-5- PubChem CID
- 13245690
- DTXSID
DTXSID90531631- Nikkaji
- J412.947D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 45.5 · 45.5-46 °C
- Boiling point
- 343.9 · 343.9±15.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
1 records
Compound notes
Loading…