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Inherent Properties, Identifiers and References
ChemSpider ID: 7993
Empirical Formula: C12H20O2
Molecular Weight: 196.286
Nominal Mass: 196 Da
Average Mass: 196.286 Da
Monoisotopic Mass: 196.14633 Da
Quick Links: Permalink Similar Isomers
Systematic Name:
SMILES: C\C(C)=C\CCC(C)(C=C)OC(=O)C
InChI:
InChIKey: -
(Details...) Wikipedia Article(s)
Linalyl acetate is a naturally-occurring phytochemical found in many flowers and spice plants. It is one of the principal components of the essential oils of bergamot and lavender. Chemically, it is the acetate ester of linalool, and the two often occur in conjunction. Synthetic linalyl acetate is sometimes used as an adulterant in essential oils to make them more marketable. For example, it may be added to lavandin oil which is then sold as more desirable lavender oil. Category:Acetates Category:Terpenes and terpenoids Read more... or Edit at Wikipedia...
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(+)-1,5-d​imethyl-1​-vinylhex​-4-enyl a​cetate

(±)-Linal​oyl aceta​te

(±)-Linal​yl acetate

1,5-dimet​hyl-1-vin​ylhex-4-e​n-1-yl ac​etate

1,6-Octad​ien-3-ol,​ 3,7-dime​thyl-, ac​etate

115-95-7 [RN]

1-ethenyl​-1,5-dime​thylhex-4​-en-1-yl ​acetate

204-116-4 [EINECS/ELINCS]

3,7-Dimet​hyl-1,6-o​ctadien-3​-ol aceta​te

3,7-Dimet​hyl-1,6-o​ctadien-3​-yl aceta​te

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(Details...) Predicted Properties
LogP: ACD/LogP: 3.83
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.83 ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 5.5): 482.48 ACD/BCF (pH 7.4): 482.48
ACD/KOC (pH 5.5): 2900.25 ACD/KOC (pH 7.4): 2900.25
#H bond acceptors: 2 #H bond donors: 0
#Freely Rotating Bonds: 6 Polar Surface Area: 26.3 Å2
Index of Refraction: 1.452 Molar Refractivity: 59 cm3
Molar Volume: 218.6 cm3 Polarizability: 23.39 10-24cm3
Surface Tension: 27.7 dyne/cm Density: 0.897 g/cm3
Flash Point: 69.6 °C Enthalpy of Vaporization: 45.64 kJ/mol
Boiling Point: 220 °C at 760 mmHg Vapour Pressure: 0.116 mmHg at 25°C
MeSH