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Squalene

CAS 111-02-4C30H50MW 410.7

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

Product Description

Squalene (CAS 111-02-4) is a chemical raw material in the fine chemicals category. Its molecular formula C30H50 comprises 30 C, 50 H atoms. Its molecular weight is about 410.7. Reported physicochemical data: melting point around -103 °F (NTP, 1992), boiling point around 545 °F at 25 mmHg (NTP, 1992), LogP about 11.6. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

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
ApplicationsCIR ingredient: Squalene, Present in large quantities in shark liver oil, and in minute amounts in olive oil, wheat germ oil, rice bran oil, and yeast
CategoryFine Chemicals|Cosmetic Raw Materials

Applications

Documented applications: CIR ingredient: Squalene, Present in large quantities in shark liver oil, and in minute amounts in olive oil, wheat germ oil, rice bran oil, and yeast.

Technical Profile

What this product is

Squalene is a high-value fine compound with CAS registry number 111-02-4 and molecular formula C30H50 (molecular weight 410.7), belonging to the fine chemicals segment of chemical raw materials.

Identification

CAS number: 111-02-4

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

Also known as: Squalene

Category: fine chemicals / cosmetic raw materials

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.

What are the documented applications of Squalene?

Recorded applications: CIR ingredient: Squalene, Present in large quantities in shark liver oil, and in minute amounts in olive oil, wheat germ oil, rice bran oil, and yeast.

Which category does Squalene belong to?

Category: Fine Chemicals / Cosmetic Raw Materials.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Squalene (CAS 111-02-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number111-02-4
PubChem CID638072
Molecular formulaC30H50
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 Weight410.7
XLogP311.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Exact Mass410.391251595
Monoisotopic Mass410.391251595
Topological Polar Surface Area0
Heavy Atom Count30

Physicochemical values on record

Boiling Point545 °F at 25 mmHg (NTP, 1992)
Boiling Point421.3 °C
Melting Point-103 °F (NTP, 1992)
Melting Point-4.8 °C
Melting Point-75 °C
Flash Point110 °C - closed cup
Density0.8584 g/cu cm at 20 °C
Density0.858 @25 °C
Vapor Pressure2 [mm Hg] @240 °C
Viscosity12 cP at 25 °C

Documented uses on record

    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.

    Synonyms and trade names

    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)-

    Regulatory listings held on file

    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)

    GHS hazard classification

    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]

    What the public record says

    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).

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

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