3,4-Dimethylhexane - ≥95% , CAS No.583-48-2

CAS: 583-48-2 Cat. No.: D155210 분자식: C₈H₁₈ 분자량: 114.23 Beilstein Registry Number: 1718740 EC 번호: 209-504-7

등급 & 순도 ≥95%

Synonyms

AKOS015841879 | DTXSID30862234 | D89816 | C2H5CH(CH3)CH(CH3)C2H5 | FT-0614379 | Hexane, 3,4-dimethyl- | 3,4-DIMETHYL HEXANE | Q2815980 | 3,4-Dimethylhexane, analytical standard | D1228 | RNTWWGNZUXGTAX-UHFFFAOYSA-N | MFCD00039927 | 3,4-DIMETHYLHEXANE | 3,

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

AKOS015841879 | DTXSID30862234 | D89816 | C2H5CH(CH3)CH(CH3)C2H5 | FT-0614379 | Hexane, 3,4-dimethyl- | 3,4-DIMETHYL HEXANE | Q2815980 | 3,4-Dimethylhexane, analytical standard | D1228 | RNTWWGNZUXGTAX-UHFFFAOYSA-N | MFCD00039927 | 3,4-DIMETHYLHEXANE | 3,

사양 및 순도

≥95%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥95%

이름과 식별자

정식 스마일

CCC(C)C(C)CC

IUPAC Name

3,4-dimethylhexane

InChIKey

RNTWWGNZUXGTAX-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3

이성체 SMILES

CCC(C)C(C)CC

WGK 독일

2

분자량

114.23

Beilstein

1718740

Reaxy-Rn

1718744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718744&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

• 굴절률: 1.4
• 발화점(°F): 42.8 °F
• 발화점(°C): 13°C(lit.)
• 끓는점(°C): 117°C
• 분자량: 114.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 40.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1