Squalane - ≥95% , CAS No.111-01-3

CAS: 111-01-3 Cat. No.: S141278 분자식: C₃₀H₆₂ 분자량: 422.81 Beilstein Registry Number: 776019 EC 번호: 203-825-6

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

508816568

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

XB6070000

대체 CAS

111-01-4

분자량

422.81

Beilstein

776019

Reaxy-Rn

776019

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in ether, chloroform, benzene, slightly soluble in ethanol, acetone, methanol, insoluble in water
• 굴절률: 1.45-1.452
• 발화점(°F): 424.4 °F
• 발화점(°C): 218 °C
• 끓는점(°C): 350 °C
• 녹는점(°C): -38 °C
• 분자량: 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