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(±)-Linalool

(±)-Linalool structure

CAS No:
78-70-6
Formula:
C10H18O
Chemical Name:
(±)-Linalool
Synonyms:
1,6-Octadien-3-ol,3,7-dimethyl-;3,7-Dimethyl-1,6-octadien-3-ol;2,6-Dimethyl-2,7-octadien-6-ol;Linalol;Linalool;Linalyl alcohol;β-Linalool;3,7-Dimethyl-1,6-octadiene-3-ol;Linanool;dl-Linalool;(±)-Linalool;NSC 3789;L 260-2;2-Methyl-1-prenyl-3-buten-2-ol;3,7-Dimethyl-3-hydroxy-1,6-octadiene;3,7-Dimethyl-3-ol-1,6-octadiene;Phantol;11024-20-7;22564-99-4
Categories:
Cosmetic Ingredient > Perfuming

Description

Linalool is natural monoterpene in essential olis of coriander, acts as a competitive antagonist of Nmethyl d-aspartate (NMDA) receptor, with anti-tumor, anti-cardiotoxicity activity[1].

Linalool is a naturally occurring terpene alcohol chemical found in many flowers and spice plants with many commercial applications, the majority of which are based on its pleasant scent (floral, with a touch of spiciness). It has other names such as β-linalool, linalyl alcohol, linaloyl oxide, p-linalool, allo-ocimenol, and 3,7-dimethyl-1,6-octadien-3-ol.

(±)-Linalool Basic Attributes

Molecular Weight：

154.24900

Exact Mass：

154.25

EC Number：

245-083-6

HScode：

2905223000

Characteristics

PSA：

20.23000

XLogP3：

2.7

Appearance：

Liquid

Density：

0.858-0.868 g/cm³ @ Temp: 25 °C

Melting Point：

<25 °C

Boiling Point：

195-199 °C

Flash Point：

75ºC

Refractive Index：

1.46-1.464

Water Solubility：

H2O: 1.45 g/L (25 ºC)

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a co

Vapor Pressure：

0.17 mm Hg ( 25 °C)

Toxicity：

LD50 orally in Rabbit: 2790 mg/kg LD50 dermal Rabbit 5610 mg/kg

Flammability characteristics：

Lower flammable limit: 0.9% by volume; Upper flammable limit: 5.2% by volume

Specific rotation：

Angular rotation: -2 deg to +2 deg

Odor：

Odor similar to that of bergamot oil and French lavender

Taste：

Taste characteristics at 30 ppm: Floral, woody, sweet with a green, spicy tropical nuance

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

RG5775000

Marks：

Storage features：

Separated from strong oxidants. Well closed.

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents. Combustible.

Precautionary statement(s)：

P280-P305 + P351 + P338-P337 + P313

Hazard Statements：

H315-H319

Caution Statement：

P280; P305 + P351 + P338; P337 + P313

(±)-Linalool Use and Manufacturing

It is used for the preparation of fragrances such as cosmetics, soaps, detergents, foods, etc.; GB276011996 stipulates that it is temporarily allowed to use edible fragrances. Mainly used to prepare pineapple, peach, chocolate and other flavors and spice flavors. It is usually used as the starting material in the total synthesis of agelasineE analogs and vitamin E derivatives. It is widely found in the flowers, fruits, stems, leaves, roots, green stalks and green calyxes of plants. It is widely used. It can not only be used in all floral fragrances, such as sweet bean flower, jasmine, lily of the valley, lilac, etc., but also It can be used in non-floral flavors such as fruity, fresh, woody, aldehyde, oriental, amber, suxinlan, and fragrant flavors, and can also be used to prepare orange leaves, bergamot, lavender, Mixed lavender oil and other artificial essential oils. It is mostly used in soap essence. It can also be used in food flavors. Linalool is an important spice and a blending raw material for various artificial essential oils. It is also used in large quantities to produce various esters of linalool. Linalool and base ester perfume and other cosmetic formulations occupy an important position. Linalool is oxidized to produce citral, which can also be used to synthesize many other spices.

Computed Properties

Molecular Weight:154.25
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:154.135765193
Monoisotopic Mass:154.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:154
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

104715-14-2

22679-02-3

177698-19-0

Material

Potassium hydroxide

Calcium carbonate

Downstream Products

Tetrahydrolinalool

Drug Function and Efficacy

A terpene alcohol found in jasmine, known for its calming, anti-anxiety, and anti-inflammatory effects

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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Guide of (±)-Linalool

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Downstream Products
Drug Function and Efficacy
Related Drugs
Recommended Suppliers
Learn More Other Chemicals

(±)-Linalool

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