Squalane - ≥95% , CAS No.111-01-3

CAS: 111-01-3 Cat. No.: S141278 Formule: C₃₀H₆₂ Poids moléculaire: 422.81 Beilstein Registry Number: 776019 Numéro CE: 203-825-6

GRADE & PURITY ≥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

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 508816568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508816568
• Sourires canoniques: 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
• Isomères SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
• WGK Allemagne: 3
• RTECS: XB6070000
• CAS alternatif: 111-01-4
• Poids moléculaire: 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
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ether, chloroform, benzene, slightly soluble in ethanol, acetone, methanol, insoluble in water
• Indice de réfraction: 1.45-1.452
• Point d'éclair (°F): 424.4 °F
• Point d'éclair (°C): 218 °C
• Point d'ébullition (°C): 350 °C
• Point de fusion (°C): -38 °C
• Poids moléculaire: 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