Stearic Acid Methyl Ester Reference Standard, 99% (GC)

CAT: 0565-61609-01Size: 5 gDry Ice: NoHazardous: No

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Description

Part B

CAS Number

112-61-8

Storage Temperature

2 - 8°C

Chemical Information

Methyl Stearate

Methyl stearate is a fatty acid methyl ester obtained by formal condensation of the carboxy group of octadecanoic (stearic) acid with the hydroxy group of methanol. A natural product found in Neolitsea daibuensis. It has a role as a metabolite. It is a fatty acid methyl ester and an octadecanoate ester.

CAS Number	112-61-8
PubChem CID	8201
IUPAC Name	methyl octadecanoate
Molecular Formula	C19H38O2
Molecular Weight	298.5
XLogP	9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Heavy Atom Count	21
Formal Charge	0
Complexity	214

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3

InChIKey

HPEUJPJOZXNMSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112-61-8

CID: 8201

Formula: C19H38O2

MW: 298.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	298.5
XLogP3	9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Exact Mass	298.287180451
Monoisotopic Mass	298.287180451
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Stearic Acid Methyl Ester Reference Standard, 99% (GC)

Chemical Information

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