Eicosanoic acid methyl ester

Compound Structure:

Synonyms:

methyl icosanoate; Methyl arachidate; Arachidic acid methyl ester; Eicosanoic acid, methyl ester; METHYL EICOSANOATE; Methyl arachisate; MethylArachidate; Kemester; arachic acid methyl ester; N-EICOSANOIC ACID METHYL ESTER

Compound ID:

NMPC-999

PubChem ID:

14259

Molecular Formula:

C21H42O2

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC

InChIKey:

QGBRLVONZXHAKJ-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	326.6 g/mol
XLogP3	10.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	19
Exact Mass	326.318480578 g/mol
Monoisotopic Mass	326.318480578 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	238
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
Physical Description	White crystalline solid; [Alfa Aesar MSDS]
Vapor Pressure	0.00000733 [mmHg]

Source: PubChem

Source Species:

Senecio biafrae
Vernonia amygdalina

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