Isododecane - mixture of isomers,≥80% , CAS No.31807-55-3

CAS: 31807-55-3 Cat. No.: I347910 분자식: C₁₂H₂₆ 분자량: 170.33 EC 번호: 250-816-8

GRADE & PURITY mixture of isomers,≥80%

Synonyms

2-Methylundecane

Storage

Room temperature

Shipped In

Normal

개요

Isododecane is a useful aliphatic medium for polymerization reactions.

Specifications

동의어

2-Methylundecane

사양 및 순도

mixture of isomers,≥80%

보관 조건

Room temperature

배송

Normal

이름과 식별자

Pubchem Sid

504753128

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753128

정식 스마일

CCCCCCCCCC(C)C

IUPAC Name

2-methylundecane

InChIKey

GTJOHISYCKPIMT-UHFFFAOYSA-N

INCHI

1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3

이성체 SMILES

CCCCCCCCCC(C)C

WGK 독일

1

UN 번호

2286

포장 그룹

III

분자량

170.33

Reaxy-Rn

1731755

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

화학 및 물리적 특성

• 용해성: Immiscible with water.
• 굴절률: 1.421
• 발화점(°F): 108°F
• 발화점(°C): 42°C
• 끓는점(°C): 180° C at 760 mmHg
• 분자량: 170.330 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 170.203 Da
• Monoisotopic Mass: 170.203 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 74.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1