Methyl 12-hydroxydodecanoate

HCID 522424CAS 71655-36-2
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Basic information

Standard SMILES
COC(=O)CCCCCCCCCCCO
InChIKey
WVYBBOXJKXXXOY-UHFFFAOYSA-N
Molecular formula
C13H26O3
Average molar mass
230.34 g/mol
Monoisotopic mass
230.18819469

Overview

12-hydroxydodecanoic acid methyl ester is an aliphatic alcohol.

Names & identifiers

Preferred name
Methyl 12-hydroxydodecanoate
IUPAC
methyl 12-hydroxydodecanoate
English name
Dodecanoic acid, 12-hydroxy-, Methyl ester
Molecular formula
C13H26O3
Molecular weight
230.34

Names & synonyms

Methyl 12-hydroxydodecanoate71655-36-2Dodecanoic acid, 12-hydroxy-, methyl ester12-hydroxydodecanoic acid methyl esterMFCD27964275methyl 12-hydroxydodecanateMethyl-12-hydroxy-dodecanoateHO-(CH2)11-CO2MeSCHEMBL1886420SCHEMBL7290236Methyl 12-hydroxydodecanoate #DTXSID10334949
Show more names
SKL343
CHEBI:214087WCA65536EBC-618332SY328857EN300-7501763Z2718913196

Database identifiers

CAS
71655-36-2
PubChem CID
522424
DTXSID
DTXSID10334949
ChEBI
CHEBI:214087
Nikkaji
J262.083I

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
12
Heavy atoms
16

Physicochemical properties

Melting point
33.2 · 33.2-34.5 °C
Boiling point
311.3 · 311.3±15.0 °C(Predicted)
Density
0.943 · 0.943±0.06 g/cm3(Predicted)
pka
15.2 · 15.20±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers7 total

荟达医药科技(上海)有限公司15173502222 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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