Basic information
- CAS
76529-42-5- Standard SMILES
COC(=O)CCCCCCCCCCCCCCO- InChIKey
WQCYAHKAJFZVCO-UHFFFAOYSA-N- Molecular formula
- C16H32O3
- Average molar mass
- 272.42 g/mol
- Monoisotopic mass
- 272.23514488
Overview
methyl 15-hydroxypentadecanoate has been reported in Stelletta with data available.
Names & identifiers
- Preferred name
- Methyl 15-Hydroxypentadecanoate
- IUPAC
- methyl 15-hydroxypentadecanoate
- English name
- METHYL 15-HYDROXYPENTADECANOATE
- Molecular formula
- C16H32O3
- Molecular weight
- 272.42
Names & synonyms
methyl 15-hydroxypentadecanoate76529-42-5DTXSID40393044RefChem:157180methyl omega-hydroxypentadecanoateDTXCID60343905Methyl 15-hydroxypentadecanoic acidMethyl omega-hydroxypentadecanoic acidPentadecanoic acid, 15-hydroxy-, methyl ester15-hydroxypentadecanoic acid methyl esterMFCD02259071Methyl 15-Hydroxypentadecanoate, (C15)
Show more names
15-hydroxydecapentacidmethyl esterOMEGA-HYDROXY C15:0 FATTY ACID METHYL ESTER
CHEMBL477886orb2283087SCHEMBL1976107SCHEMBL10597470WQCYAHKAJFZVCO-UHFFFAOYSA-NHY-W286101AS-92567PD077419
Database identifiers
- CAS
76529-42-5- PubChem CID
- 3496889
- DTXSID
DTXSID40393044- ChEMBL
CHEMBL477886- Nikkaji
- J297.407J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 47 · 47.0-48.0 °C
- Boiling point
- 359.5 · 359.5±15.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- solubility
- Chloroform: soluble; Ethanol: warmed; Ether: soluble
- form
- A solid
- pka
- 15.2 · 15.20±0.10(Predicted)
Chemistry & industry
Applications
Description15-hydroxy Pentadecanoic acid methyl ester is a hydroxylated fatty acid methyl ester that is a key intermediate in the synthesis of the musk-odored macrocyclic lactones cyclopentadecanolide and exaltolide. [Matreya, LLC. Catalog No. 1882]
UsesMethyl 15-hydroxypentadecanoate (Pentadecanoic acid,15-hydroxy-,methyl ester) is an ester product.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers24 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
6 records
Compound notes
Loading…