Methyl 16-methylheptadecanoate

HCID 110444
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Basic information

CAS
5129-61-3
Standard SMILES
COC(=O)CCCCCCCCCCCCCCC(C)C
InChIKey
KDQIFKKWPMBNOH-UHFFFAOYSA-N
Molecular formula
C19H38O2
Average molar mass
298.5 g/mol
Monoisotopic mass
298.28718045

Names & identifiers

Preferred name
Methyl 16-methylheptadecanoate
IUPAC
methyl 16-methylheptadecanoate
English name
Isooctadecanoic acid, methyl ester
Molecular formula
C19H38O2
Molecular weight
298.51

Names & synonyms

Methyl 16-methylheptadecanoate5129-61-3Heptadecanoic acid, 16-methyl-, methyl ester2B9VP4H2JCDTXSID401027738RefChem:1089267DTXCID0046064Methyl isostearate16-Methylheptadecanoic acid methyl ester68517-10-216-Methylheptadecanoic acid-methyl ester16-METHYLHEPTADECANOICACIDMETHYLESTER
Show more names
Isooctadecanoic acid, methyl esterEC 614-560-4Methyl isooctadecanoateUNII-2B9VP4H2JCMethyl 16-methylheptadecanoatSCHEMBL8455796SCHEMBL8601185FAA12961

Database identifiers

CAS
5129-61-3、68517-10-2
PubChem CID
110444
DTXSID
DTXSID401027738
UNII
2B9VP4H2JC
EC Number
614-560-4、680-577-9
Nikkaji
J46.834G

Properties

Computed structural properties

XLogP
8.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
16
Heavy atoms
21

Physicochemical properties

Boiling point
181 · 181-183 °C(Press: 4 Torr)
Cosmetics Ingredients Functions
SURFACTANT - EMULSIFYINGSKIN CONDITIONING
LogP
8.272 · 8.272 (est)
EPA Substance Registry System
Methyl isostearate (68517-10-2)
TSCA
TSCA listed
REACH Registrations
Active

Safety & regulation

Safety data

tsca
TSCA listed
REACH Registrations
Active

Chemistry & industry

Suppliers8 total

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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