Squalane - ≥98%, used for 角鲨烷已被用于：作为溶剂合成二苯甲酰甲基三乙铵铕（目前已知最亮的摩擦发光材料）；作为润滑剂用于吸附在氧化铁表面的脂肪酸表面活性剂膜。 various applications , CAS No.111-01-3

CAS: 111-01-3 Cat. No.: S141335 Formula: C₃₀H₆₂ Molecular Weight: 422.81 Beilstein Registry Number: 776019 EC Number: 203-825-6

GRADE & PURITY ≥98%

Synonyms

H0096 | SQUALANE [II] | Squalane, European Pharmacopoeia (EP) Reference Standard | squalane-d62 | H12051 | s5407 | SQUALANE [MART.] | EPA Pesticide Chemical Code 045503 | EINECS 203-825-6 | UNII-GW89575KF9 | Squalane, analytical standard | CAS-111-01-3 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

H0096 | SQUALANE [II] | Squalane, European Pharmacopoeia (EP) Reference Standard | squalane-d62 | H12051 | s5407 | SQUALANE [MART.] | EPA Pesticide Chemical Code 045503 | EINECS 203-825-6 | UNII-GW89575KF9 | Squalane, analytical standard | CAS-111-01-3 |

Specifications & Purity

≥98%

Application

角鲨烷已被用于：作为溶剂合成二苯甲酰甲基三乙铵铕（目前已知最亮的摩擦发光材料）；作为润滑剂用于吸附在氧化铁表面的脂肪酸表面活性剂膜。

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751572
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751572
• Canonical Smiles: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
• IUPAC Name: 2,6,10,15,19,23-hexamethyltetracosane
• InChIKey: PRAKJMSDJKAYCZ-UHFFFAOYSA-N
• INCHI: 1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
• Isomeric SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
• WGK Germany: 3
• RTECS: XB6070000
• Alternate CAS: 111-01-4
• Molecular Weight: 422.81
• Beilstein: 776019
• Reaxy-Rn: 776019

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Branched alkanes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triterpenoid - Branched alkane - Acyclic alkane - Saturated hydrocarbon - Alkane - Hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix in water. Chloroform, Hexanes (Slightly). Soluble in ether, chloroform, benzene, slightly soluble in ethanol, acetone, methanol, insoluble in water
• Refractive Index: 1.45-1.452
• Flash Point(°F): 424.4 °F
• Flash Point(°C): 218 °C
• Boil Point(°C): 350 °C
• Melt Point(°C): -38 °C
• Molecular Weight: 422.800 g/mol
• XLogP3: 14.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 21
• Exact Mass: 422.485 Da
• Monoisotopic Mass: 422.485 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 308.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1