2-Methylhexane - ≥99%(GC), used for 2-Methylhexane is mainly used as a model iso-alkane in studies relating to iso-alkane oxidation, vapor-liquid phase equilibria of heptane isomers and catalytic cracking. various applications , CAS No.591-76-4

CAS: 591-76-4 Cat. No.: M158516 분자식: C₇H₁₆ 분자량: 100.21 Beilstein Registry Number: 1696860 EC 번호: 209-730-6

등급 & 순도 ≥99%(GC)

Synonyms

Isoheptane

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

사양

동의어

Isoheptane

사양 및 순도

≥99%(GC)

애플리케이션

2-Methylhexane is mainly used as a model iso-alkane in studies relating to iso-alkane oxidation, vapor-liquid phase equilibria of heptane isomers and catalytic cracking.

보관 조건

Room temperature,Desiccated

배송

FedEx DG Service

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

488181388

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181388

정식 스마일

CCCCC(C)C

IUPAC Name

2-methylhexane

InChIKey

GXDHCNNESPLIKD-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3

이성체 SMILES

CCCCC(C)C

WGK 독일

2

RTECS

MO3871500

분자량

100.21

Beilstein

1696860

Reaxy-Rn

1696856

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696856&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

작용 메커니즘

화학 및 물리적 특성

• 용해성: insoluble in water.
• 굴절률: 1.38
• 발화점(°F): 30.2 °F
• 발화점(°C): -1 °C
• 끓는점(°C): 90°C
• 녹는점(°C): -118 °C
• 분자량: 100.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 29.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 591-76-4, the molecular formula is C7H16, and the molecular weight is 100.21 g/mol. InChIKey GXDHCNNESPLIKD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.