n-Hexadecanoic acid ethyl ester

Compound Structure:

Synonyms:

Ethyl hexadecanoate; Palmitic acid ethyl ester; Hexadecanoic acid, ethyl ester; Ethyl cetylate; Ethyl n-hexadecanoate; Hexadecanoic acid ethyl ester; Ethyl Palmitate; 3-trifluoromethyl-o-toluanilide

Compound ID:

NMPC-1310

PubChem ID:

12366

Molecular Formula:

C18H36O2

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC

InChIKey:

XIRNKXNNONJFQO-UHFFFAOYSA-N

About the compound:

Ethyl hexadecanoate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. It has a role as a plant metabolite. It is a hexadecanoate ester and a long-chain fatty acid ethyl ester.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1458 of 1459 companies (only ~ 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	284.5 g/mol
XLogP3-AA	7.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	284.271530387 g/mol
Monoisotopic Mass	284.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	202
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	Colourless crystals with a waxy odour
Boiling Point	192.00 to 193.00 °C. @ 10.00 mm Hg
Melting Point	24 °C
Density	0.863-0.865
Solubility	Soluble in ethanol and oils, insoluble in water

Source: PubChem

Source Species:

Artocarpus altilis.
Cyathula prostrata
Gouania longipetala
Macaranga barteri
Mucuna sloanei
Pachira glabra
Terminalia schimperiana
Thaumatococcus daniellii
Azanza garckeana
Vernonia blumeoides

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