9-Octadecenoic acid methyl ester

Compound Structure:

Synonyms:

METHYL ELAIDATE;1937-62-8;Elaidic acid methyl ester;methyl octadec-9-enoate;2462-84-2;Methyl trans-9-octadecenoate;(E)-Methyl octadec-9-enoate;9-Octadecenoic acid, methyl ester;9-Octadecenoic acid, methyl ester, (9E)-

Compound ID:

NMPC-532

PubChem ID:

5280590

Molecular Formula:

C19H36O2

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC

InChIKey:

QYDYPVFESGNLHU-ZHACJKMWSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	296.5 g/mol
XLogP3-AA	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	296.271530387 g/mol
Monoisotopic Mass	296.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source Species:

Chenopodium ambrosioides
Chrysophyllum albidum
Nicotiana tabacum
Piper guineense
Scleria depressa

Download SDF