Squalene

Description

Squalene · CAS 111-02-4 · C30H50. UNII 7QWM220FJH. Boiling Point: 545 °F at 25 mmHg (NTP, 1992); Boiling Point: 421.3 °C; Melting Point: -103 °F (NTP, 1992).

Identification

CAS Registry Number	111-02-4
PubChem CID	638072
Molecular formula	C30H50
IUPAC name	(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
UNII (FDA)	7QWM220FJH

Computed Descriptors

Molecular Weight	410.7
XLogP3	11.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	15
Exact Mass	410.391251595
Monoisotopic Mass	410.391251595
Topological Polar Surface Area	0
Heavy Atom Count	30
Formal Charge	0

Physical & Chemical Properties

Boiling Point	545 °F at 25 mmHg (NTP, 1992)
Boiling Point	421.3 °C
Melting Point	-103 °F (NTP, 1992)
Melting Point	-4.8 °C
Melting Point	-75 °C
Flash Point	110 °C - closed cup
Density	0.8584 g/cu cm at 20 °C
Density	0.858 @25 °C
Vapor Pressure	2 [mm Hg] @240 °C
Viscosity	12 cP at 25 °C

Physical description & handling notes

• Trans-squalene is a clear, slightly yellow liquid with a faint odor. Density 0.858 g / cm3.
• Liquid with a mild agreeable odor; Absorbs oxygen and becomes viscous like linseed oil; [Merck Index] Clear, colorless to slightly yellow viscous liquid; [Acros Organics MSDS]
• Liquid
• Oil; crystals from ether/methanol (-5 °C)
• Faint agreeable odor
• greater than 235 °F (NTP, 1992)

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetic ingredients (Squalene) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Personal care product CIR / INCI: Hair conditioning; Antistatic; Refatting; Emollient
GHS notification summary	25.5% (80 / 314)

GHS Hazard Classification

GHS notification summary	25.5% (80 / 314)
Reported hazard statements	H304 (73.6%)

Documented Uses

• Present in large quantities in shark liver oil, and in minute amounts in olive oil, wheat germ oil, rice bran oil, and yeast; An intermediate in the biosynthesis of cholesterol; Used as a bactericide, and as an intermediate for pharmaceuticals, organic coloring agents, rubber chemicals, aromatics, and surface active agents; [Merck Index] Also used in biochemical and pharmaceutical research; [NTP]
• Bactericide; intermediate in manufacture of pharmaceuticals, organic coloring materials, rubber chemicals, aromatics and surface active agents.
• Biochemical and pharmaceutical research, a percursor of cholestrol in biosynthesis, chemical intermediate.
• Squalane and Squalene have been identified as natural components of human sebum. Both ingredients are used in a variety of cosmetics at concentrations ranging from < or =0.1 to >50%.
• For more Uses (Complete) data for Squalene (9 total), please visit the HSDB record page.
• Cosmetics -> Hair conditioning; Antistatic; Refatting; Emollient

Synonyms

squalene; 111-02-4; Spinacene; trans-Squalene; All-trans-Squalene; (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; Spinacen; Nikko Squalane EX; Super Squalene; Squalen; (All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene; 7QWM220FJH; CHEBI:15440; 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-; 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-

Frequently Asked Questions

What are the CAS number and molecular formula of Squalene?

CAS 111-02-4; molecular formula C30H50; molecular weight — g/mol.

What other names is Squalene known by?

squalene, 111-02-4, Spinacene, trans-Squalene, All-trans-Squalene, (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene.

What is the regulatory status of Squalene?

Documented regulatory listings: CIR / INCI: Cosmetic ingredients (Squalene) -> CIR (Cosmetic Ingredient Review); CIR / INCI: Personal care product; CIR / INCI: Hair conditioning; Antistatic; Refatting; Emollient.

Is Squalene classified as hazardous?

25.5% of GHS notifications report no hazard classification (80 of 314).

What are the key physical properties of Squalene?

Boiling Point: 545 °F at 25 mmHg (NTP, 1992); Boiling Point: 421.3 °C; Melting Point: -103 °F (NTP, 1992); Melting Point: -4.8 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.