Linalyl Acetate

Product Name:

Linalyl acetate

Synonyms:

high quality Linalyl acetate 115-95-7 kf-wang(at)kf-chem.com;1,6-Octadien-3-ol,3,7-dimethyl-,acetate;6-octadien-3-ol,3,7-dimethyl-acetate;Acetic acid linalool ester;aceticacidlinaloolester;Bergamiol;Bergamol;Bergamot mint oil

CAS:

115-95-7

MF:

C12H20O2

MW:

196.29

EINECS:

204-116-4

Product Categories:

Acyclic Monoterpenes;Biochemistry;Terpenes;ester Flavor

Mol File:

115-95-7.mol

Melting point 

85°C

Boiling point 

220 °C(lit.)

density 

0.901 g/mL at 25 °C(lit.)

vapor density 

6.8 (vs air)

vapor pressure 

0.1 mm Hg ( 20 °C)

refractive index 

n20/D 1.453(lit.)

FEMA 

2636 | LINALYL ACETATE

Fp 

194 °F

storage temp. 

2-8°C

form 

Liquid

color 

Clear colorless

Water Solubility 

499.8mg/L(25 ºC)

JECFA Number

359

Merck 

14,5496

BRN 

1724500

InChIKey

UWKAYLJWKGQEPM-LBPRGKRZSA-N

CAS DataBase Reference

115-95-7(CAS DataBase Reference)

NIST Chemistry Reference

1,6-Octadien-3-ol, 3,7-dimethyl-, acetate(115-95-7)

EPA Substance Registry System

Linalyl acetate (115-95-7)

Hazard Codes 

Xi

Risk Statements 

36/37/38-38

Safety Statements 

26-36-37-24/25

RIDADR 

NA 1993 / PGIII

WGK Germany 

1

RTECS 

RG5910000

HS Code 

29153900

Hazardous Substances Data

115-95-7(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 13934 mg/kg

Description

Linalyl acetate belongs to monoterpene compound. It is a naturally occurring phytochemical found in many flowers and spice plants. It is the one of the principle components of essential oils of bergamont and lavender.1 It is a clear, colorless liquid with a boiling point of 220°C. Chemically, it is the acetate ester of linalool, and the two often occur in conjunction in the essential oils of Lavender and Lavandin.2
Linalyl acetate is an approved flavoring food additive. It is the most important fragrance ingredient for bergamot, lilac, lavender, linden, neroli, ylang-ylang, and fantasy nots. It is used in decorative cosmetics, fine fragrances, shampoos, toilet soaps and other toiletries as well as in non-cosmetic products such as household cleaners and detergents.3,4

Reference

1.     https://pubchem.ncbi.nlm.nih.gov/compound/linalyl_acetate#section=Top

2.     A. Martin, V. Silva, L. Perez, J. Garcia-Serna, M. J. Cocero, Direct Synthesis of Linalyl Acetate from Linalool in Supercritical Carbon Dioxide: A Thermodynamic Study, Chemical Engineering & Technology, 2007, vol. 30, pp. 726-731

3.     H. Surbung, J. Panten, Common Fragrance and Flavor Materials: Preparation, Properties und Uses, 2006, ISBN 978-3-527-31315-0

4.     C. S. Letizia, J. Cocchiara, J. Lalko, A. M. Api, Fragrance material review on linalyl acetate, Food and Chemical Toxicology, 2003, vol. 41, pp. 965-976

Description

Linalyl acetate has a characteristic bergamot-lavender odor and persistent sweet, acrid taste.
Synthesis: Normally prepared by direct acetylation of linalool; another method starts from myrcene hydrochloride, anhydrous sodium acetate, and acetate anhydride in the presence of a catalyst; all synthetic methods tend to avoid the simultaneous formation (because of isomerization) of terpenyl and geranyl acetate.

Chemical Properties

Linalyl acetate has a characteristic bergamot–lavender odor and persistent sweet, acrid taste.

Chemical Properties

CLEAR COLOURLESS LIQUID

Chemical Properties

Linalyl Acetate occurs as its (?) isomer as the main component of lavender oil (30–60%, depending on the origin of the oil), of lavandin oil (25–50%, depending on the species), and of bergamot oil (30–45%). It has also been found in clary sage oil (up to 75%) and in a small amount in many other essential oils. Racemic linalyl acetate is a colorless liquid with a distinct bergamot–lavender odor.
Linalyl acetate is used extensively in perfumery. It is an excellent fragrance material for, among others, bergamot, lilac, lavender, linden, neroli, ylang-ylang, and fantasy notes (particularly chypre). Smaller amounts are used in other citrus products. Since linalyl acetate is fairly stable toward alkali, it can also be employed in soaps and detergents.

Uses

In perfumery.

Aroma threshold values

Detection: 1 ppm

Taste threshold values

Taste characteristics at 5 ppm: floral, green, waxy, terpy, citrus, herbal and spicy nuances.

Contact allergens

Structurally close to linalool, linalyl acetate is the main component of lavender oil and is commonly used in fragrances and toiletries, and in household cleaners and detergents as well. By autoxidation, it leads mainly to hydroperoxides, with a high sensitizing potent.

Chemical Synthesis

Normally prepared by direct acetylation of linalool; another method starts from myrcene hydrochloride, anhydrous sodium acetate and acetate anhydride in the presence of a catalyst; all synthetic methods tend to avoid the simultaneous formation (because of isomerization) of terpenyl and geranyl acetate.

Raw materials

Acetic acid glacial-->Sodium carbonate-->Potassium carbonate-->Linalool-->ketene-->Eucalyptus Citriodara Oil-->Clove oil-->Salvia Root P.E Tanshinone IIA 20%-->1,1,3,3,5-PENTAMETHYL-4,6-DINITROINDANE

Preparation Products

Bergamot mint oil-->BERGAMOT OIL