Squalane - ≥95% , CAS No.111-01-3

CAS: 111-01-3 Cat. No.: S141278 Fórmula: C₃₀H₆₂ Peso molecular: 422.81 Beilstein Registry Number: 776019 Número CE: 203-825-6

GRAU & PUREZA ≥95%

Synonyms

squalane-d62 | CAS-111-01-3 | Dodecahydrosqualene | Spinacane | Hexamethyltetracosane | SQUALANE | Robane | Pripure 3759 | Squalane [NF] | Cosbiol | Tetracosane, 2,6,10,15,19,23-hexamethyl- | NSC 6851 | Perhydrosqualene | 2,6,10,15,19,23-Hexamethyltetraco

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

squalane-d62 | CAS-111-01-3 | Dodecahydrosqualene | Spinacane | Hexamethyltetracosane | SQUALANE | Robane | Pripure 3759 | Squalane [NF] | Cosbiol | Tetracosane, 2,6,10,15,19,23-hexamethyl- | NSC 6851 | Perhydrosqualene | 2,6,10,15,19,23-Hexamethyltetraco

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508816568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816568

Sorrisos canónicos

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

SMILES isoméricas

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

WGK Alemanha

3

RTECS

XB6070000

CAS alternativo

111-01-4

Peso molecular

422.81

Beilstein

776019

Reaxy-Rn

776019

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ether, chloroform, benzene, slightly soluble in ethanol, acetone, methanol, insoluble in water
• Índice de refração: 1.45-1.452
• Ponto de inflamação (°F): 424.4 °F
• Ponto de inflamação (°C): 218 °C
• Ponto de ebulição (°C): 350 °C
• Ponto de fusão (°C): -38 °C
• Peso molecular: 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