16-Methyloctadecanoic acid

HCID 5282601
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
17001-28-4
Standard SMILES
CCC(C)CCCCCCCCCCCCCCC(=O)O
InChIKey
PCGKIWPTIJPQHI-UHFFFAOYSA-N
Molecular formula
C19H38O2
Average molar mass
298.5 g/mol
Monoisotopic mass
298.28718045

Names & identifiers

Preferred name
16-Methyloctadecanoic acid
IUPAC
16-methyloctadecanoic acid
English name
16-Methyloctadecanoic acid
Molecular formula
C19H38O2
Molecular weight
298.5

Names & synonyms

16-methyloctadecanoic acidMethyl stearic acidAnteisononadecanoic acidLunac MS-A16-methyl-octadecanoic acidOctadecanoic acid, 16-methyl-UNII-Y74U21VL6SY74U21VL6S16-methylstearic acid(+)-16-methyl stearic acidCHEBI:84875DTXSID40937725
Show more names
16-methyl Stearic Acid
16-MethylstearateAnteisononadecanoateRefChem:79039XI-16-methyloctadecanoateDTXCID701366278METHYL STEARIC ACID [INCI](+-)-16-METHYLOCTADECANOIC ACID16-METHYLOCTADECANOIC ACID, (+-)-

Database identifiers

CAS
17001-28-4
PubChem CID
5282601
DTXSID
DTXSID40937725
ChEBI
CHEBI:84875
UNII
Y74U21VL6S
EC Number
680-562-7
Nikkaji
J426.816D

Properties

Computed structural properties

XLogP
8.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
16
Heavy atoms
21

Physicochemical properties

Melting point
46.8 °C · 46.8 °C
Boiling point
380.63 °C · 380.63°C (estimate)
Density
0.8865 · 0.8865 (rough estimate)
refractive index
1.4466 · 1.4466 (estimate)
solubility
10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): insol
pka
4.78 · 4.78±0.10(Predicted)

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

Uses16-Methyloctadecanoic acid is an ester product.

Suppliers9 total

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]

Additional notes

DefinitionChEBI: A methyl-branched fatty acid that is octadecanoic acid substituted by a methyl group at position 16.

Related reactions

3 records
New reaction record

Compound notes

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