Dodecanoic acid, ethyl ester

Compound Structure:

Synonyms:

Ethyl dodecanoate; ETHYL LAURATE; Dodecanoic acid, ethyl ester; Lauric acid ethyl ester; Ethyl laurinate; Ethyl dodecylate; Ethyl n-dodecanoate; Ethyllaurate; dodecanoic acid ethyl ester; Ethyl n-dodecanote; dodecanoic acid-ethyl ester

Compound ID:

NMPC-986

PubChem ID:

7800

Molecular Formula:

C14H28O2

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC

InChIKey:

MMXKVMNBHPAILY-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1620 of 1640 companies (only ~ 1.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	228.37 g/mol
XLogP3-AA	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	228.208930132 g/mol
Monoisotopic Mass	228.208930132 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	155
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	Liquid
Boiling Point	269.00 to 271.00 °C. @ 760.00 mm Hg
Melting Point	-10 °C
Density	0.858-0.863
Solubility	Soluble in ether, insoluble in water

Source: PubChem

Source Species:

Tectona grandis
Massularia acuminata

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