LINALYL ACETATE

PRODUCT IDENTIFICATION
CAS NO. 115-95-7

LINALYL ACETATE

EINECS NO. 204-116-4, 254-806-4
FORMULA CH3CO2C(CH=CH2)(CH3)CH2CH2CH=C(CH3)2
MOL WT. 196.29

H.S. CODE

 2915.39.4000

TOXICITY

 Oral Rat LD50: 13934mg/kg
SYNONYMS 3,7-Dimethyl-1,6-octadien-3-ol acetate;
3,7-Dimethyl-1,6-octadien-3-yl acetate; Acetic acid linalool ester; Bergamiol; Bergamol; Bergamot mint oil; Licareol acetate; Linalol acetate; Linalool acetate; Lynalyl acetate; (1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate; Other RN: 8022-85-3, 16509-66-3, 40135-38-4
SMILES C([C@@](OC(C)=O)(C=C)C)C\C=C(\C)C

CLASSIFICATION

Flavor and Fragrance agent

EXTRA NOTES

 FEMA No. 2636.

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE
clear liquid
MELTING POINT < 25 C
BOILING POINT

220 C

SPECIFIC GRAVITY

0.88 - 0.91

SOLUBILITY IN WATER Insoluble
SOLVENT SOLUBILITY Soluble in alcohol, ethanol and diethyl ether
VAPOR DENSITY

6.77

log Pow 3.93
HENRY LAW CONSTANT 1.74E-03 (atm-m3/mole at 25 C)
OH RATE CONSTANT 1.16E-10 (cm3/molecule-sec at 25 C Atmospheric)

REFRACTIVE INDEX

 1.449 - 1.452

NFPA RATINGS

Health: 2, Flammability: 2, Instability: 0

AUTOIGNITION

 

FLASH POINT

94 C

STABILITY

Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

http://www.inchem.org
The substance is used as an intermediate and found in soaps, cleaning products and cosmetics (perfume) (ref. 1). It is a component of oil paint, is used in extracts and as a substitute for petitgrain oil (information from USA). In view of the reported use, both workers and consumers can be exposed. Linalyl acetate is a food additive. Foodstuffs contain between 1.9 (soft drinks) and 13 ppm (chewing gum) linalyl acetate.

http://www.longwoodherbal.org
Lavender¡¯s essential oil is commonly used in aromatherapy and massage. Its major clinical benefits are on the central nervous system. Many studies conducted on both animals and humans support its use as a sedative, anxiolytic and mood modulator. Lavender oil has in vitro antimicrobial activity against bacteria, fungi and some insects. Lavender¡¯s essential oil exerts spasmolytic activity in smooth muscle in vivo, supporting its historical use as a digestive aid. Particular chemical constituents of lavender have potent anticarcinogenic and analgesic properties; its antioxidant effects are less potent than those of other members of its botanical family such as rosemary and sage. Allergic reactions to lavender have been reported. Because of its potent effects on the central nervous system, people with seizure disorders and those using sedative medications should consult a physician before using lavender. Although lavender has traditionally been used to treat symptoms ranging from restlessness to colic in infants and children, systematic studies have not been conducted to test the efficacy and safety of lavender use in infants and children or during pregnancy or lactation.

http://www.chemicalland21.com/
Flavouring Substances Chemical Group 6 (Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols and esters with esters containing tertiary alcohols. Esters may contain any acid component.)
SALES SPECIFICATION

APPEARANCE
clear liquid

ASSAY

85% min
SPECIFIC GRAVITY

0.88 - 0.91

REFRACTIVE INDEX

 1.45 - 1.47
TRANSPORTATION
PACKING
 
HAZARD CLASS  
UN NO.  
SAFETY INFORMATION
Hazard Symbols: XI, Risk Phrases: 36/37/38, Safety Phrases: 26
PRICE INFORMATION