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Squalene

CAS 111-02-4C30H50MW 410.7

Squalene (CAS 111-02-4) — formula C30H50, molecular weight 410.7.

Specifications

CAS Number111-02-4
Molecular FormulaC30H50
Molecular Weight410.7
Melting Point-103 °F (NTP, 1992)
Boiling Point545 °F at 25 mmHg (NTP, 1992)
LogP11.6

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What this product is

Squalene is a chemical compound with CAS registry number 111-02-4 and molecular formula C30H50 (molecular weight 410.7).

Identification

CAS number: 111-02-4

Its molecular formula C30H50 comprises 30 C, 50 H atoms.

Also known as: Squalene

Frequently Asked Questions

What is the CAS number of Squalene?

The CAS registry number of Squalene is 111-02-4.

What is the molecular formula and molecular weight of Squalene?

Molecular formula C30H50, molecular weight 410.7.

What other names is Squalene known by?

It is also registered under: Squalene.

PubChem Public Data

Public-database records for Squalene (CAS 111-02-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary25.5% (80 / 314)
Reported hazard statementsH304 (73.6%)

This chemical does not meet GHS hazard criteria for 25.5% (80 of 314) of reports.

H304 (73.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

Regulatory listings

Regulatory & Food ContactCIR / INCI: Cosmetic ingredients (Squalene) -> CIR (Cosmetic Ingredient Review)
CIR / INCI: Personal care product
CIR / INCI: Hair conditioning; Antistatic; Refatting; Emollient
GHS notification summary25.5% (80 / 314)

Physical description and handling notes

  • Trans-squalene is a clear, slightly yellow liquid with a faint odor. 密度 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)

Reported physical properties

沸点545 °F at 25 mmHg (NTP, 1992)
沸点421.3 °C
熔点-103 °F (NTP, 1992)
熔点-4.8 °C
熔点-75 °C
闪点110 °C - closed cup
密度0.8584 g/cu cm at 20 °C
密度0.858 @25 °C
蒸气压2 [mm Hg] @240 °C
黏度12 cP at 25 °C

How this substance is indexed

CAS Registry Number111-02-4
PubChem CID638072
分子式C30H50
IUPAC 名称(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
UNII（FDA）7QWM220FJH

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

Names this substance appears under

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)-

Computed molecular descriptors

分子量410.7
XLogP311.6
氢键供体数0
氢键受体数0
可旋转键数15
精确质量410.391251595
单同位素质量410.391251595
拓扑极性表面积0
重原子数30
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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