Acetic acid, dodecyl ester

Compound Structure:

Synonyms:

DODECYL ACETATE;112-66-3;Lauryl acetate;Acetic acid, dodecyl ester;Dodecanol acetate;1-Dodecanol acetate;N-Dodecyl acetate;n-Dodecyl ethanoate;Dodecanyl acetate;Acetate C-12;Dodecan-1-yl acetate;Lauryl ethanoate;Dodecyl alcohol acetate

Compound ID:

NMPC-549

PubChem ID:

8205

Molecular Formula:

C14H28O2

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C

InChIKey:

VZWGRQBCURJOMT-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1553 of 1591 companies (only ~ 2.4% 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	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	colourless liquid with a waxy, citrus-rose odour
Boiling Point	150.00 °C. @ 15.00 mm Hg
Melting Point	1.3 °C
Density	0.860-0.865
Solubility	soluble in most organic solvents
Vapor Pressure	0.000468 [mmHg]

Source: PubChem

Source Species:

Prosopis africana

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