Linalyl acetate

Compound Structure:

Synonyms:

3,7-dimethylocta-1,6-dien-3-yl acetate; LINALYL ACETATE; Linalool acetate; Bergamiol; Bergamol; Lynalyl acetate; Linalol acetate; Licareol acetate; Acetic acid linalool ester; 3,7-Dimethyl-1,6-octadien-3-yl acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, aceta

Compound ID:

NMPC-1204

PubChem ID:

8294

Molecular Formula:

C12H20O2

Canonical SMILES:

CC(=CCCC(C)(C=C)OC(=O)C)C

InChIKey:

UWKAYLJWKGQEPM-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	196.29 g/mol
XLogP3-AA	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	196.146329876 g/mol
Monoisotopic Mass	196.146329876 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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 floral, fruity odour
Boiling Point	221 °C
Melting Point	< 25 °C
Density	0.895-0.914
Solubility	Soluble in alcohol, ether, diethyl phthalate, benzyl benzoate, mineral oil, fixed oils; slightly soluble in propylene glycol; insoluble in glycerol.
Vapor Pressure	0.11 [mmHg]

Source: PubChem

Source Species:

Acalypha ornata

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