SQUALENE

PRODUCT IDENTIFICATION
CAS NO. 111-02-4

EINECS NO. 203-826-1
FORMULA [(CH3)2C[=CHCH2CH2C(CH3)]2=CHCH2]2
MOL WT. 410.73

H.S. CODE

 2901.29
TOXICITY

 

CLASSIFICATION

Alkene, Ichthyology, Triterpene

SMILES

 C(=C\CC\C(=C\CC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)C) (\CC \C=C (\C)C)C
EXTRA NOTES

A natural 30-carbon organic compound originally obtained for commercial purposes primarily from shark liver oil (hence its name), although plant sources (primarily vegetable oils) are now used as well, including amaranth seed, rice bran, wheat germ, and olives.

SYNONYMS (E,E,E,E)-squalene; Spinacene; squalen; Supraene; Supraene;
All-trans-Squalene; Spinacene; (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-Tetracosahexaene; all-trans-squalene; Hexamethyltetracosahexaene; trans-spinacene; Spinacen; 2,6,10,15,19,23-Hexamethyl- 2,6,10,14,18,22-Tetracosahexaene; 2,6,10,15,19,23-Hexamethyltetracosa- 2,6,10,14,18,22- hexaene; (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene;

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

clear liquid
MELTING POINT -75 C
BOILING POINT 275 C
SPECIFIC GRAVITY 0.853 - 0.858
SOLUBILITY Insoluble in water
pH  
VAPOR DENSITY

 

AUTOIGNITION

 

NFPA RATINGS

  

REFRACTIVE INDEX

 1.4940 - 1.4950
FLASH POINT >200 C
STABILITY Stable under ordinary conditions.

EXTERNAL LINKS & GENERAL DESCRIPTION

USA.gov - Squalene

Wikipedia Linking - Squalene

Google Scholar Search - Squalene

Drug Information Portal (U.S. National Library of Medicine) - Squalene

PubChem Compound Summary - Squalene

Drug Bank -  Squalene

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Squalene

http://www.ebi.ac.uk/chebi/ -  Squalene

http://www.ncbi.nlm.nih.gov/ -  Squalene

Material Safety Data Sheet - Squalene

EPA - Substance Registry Services - Squalene

Local:
Squalene is a triterpene found in human sebum and in large quantities in shark liver oil. Terpene is a class of naturally occurring various unsaturated hydrocarbons whose carbon skeletons are composed exclusively of five-carbon isoprene unit. Isoprene units are assembled and modified in thousands of ways in all living things, and are the largest group of natural products. Squalene plays a role in the biosynthesis of sterols and polycyclic terpenes. It is used in biochemical research, as a bactericide and as an intermediate in the synthesis of pharmaceuticals.

SALES SPECIFICATION

APPEARANCE

clear liquid

IDENTITY

pass

ASSAY

98.0% min
SPECIFIC GRAVITY 0.853 - 0.858

PEROXIDE VALUE

5 max
TRANSPORTATION
PACKING
 
HAZARD CLASS  
UN NO.  
HAZARD OVERVIEW
GHS (Globally Harmonised System) Classification: Not a dangerous substance. Potential Health Effects: Eyes - May cause eye irritation. Skin - May be harmful if absorbed through skin May cause skin irritation. Inhalation - May be harmful if inhaled. May cause respiratory tract irritation. Ingestion - May be harmful if swallowed. Hazard Symbols: n/a, Risk Phrases: n/a, Safety Phrases: 24/25-28A-37-45

GENERAL DESCRIPTION OF TERPENE
A class of naturally occurring compounds mainly in plants as constituents of essential oils whose carbon skeletons are composed exclusively of isoprene C5 units (CH2=C(CH3)-CH=CH2). Most terpenes are hydrocarbons having molecular formula (C5H8)n in a cyclic or acyclic, saturated or unsaturated structure, while the terpenoids are oxygen-containing analogues of the terpenes such as alcohols, aldehydes or ketones containing hydroxyl groups or carbonyl groups. Several vitamines, hormones, flavour and flagrances and latex are terpenoids. Terpenes containing 30 or more carbons are usually formed by the fusion of two terpene precursors in a regular pattern, usually head-to-tail appears to be violated. They are differ from one another not only in functional groups but also in their basic carbon skeletons. Terpenes are employed mainly the fragrance and flavour purpose, as well as in the pharmaceutical and chemical industries. They are classified by the number of isoprene units:

Class

number of isoprene

Examples

Hemiterpene

1 (C5H8)

 Found in associated with Alkaloids, Coumarins and Flavonoids.

Monoterpenes

2 (C10H16)

 Geraniol, Citronellol, Pinene, Nerol, Citral, Camphor, Menthol, Limonene, Thujone

Sesquiterpenes

3 (C15H24)

 Nerolidol, Farnesol

Diterpenes

4 (C20H32)

 Phytol, Vitamin A1

Triterpenes

6 (C30H48)

 Squalene

Tetraterpenes

8 (C40H84)

 Carotene (Provitamin A1)

Polyterpenes

 >10 (C5H8)n