2,2-Dimethylhexane - ≥98% , CAS No.590-73-8

CAS: 590-73-8 Cat. No.: D106282 분자식: C₈H₁₈ 분자량: 114.23 Beilstein Registry Number: 1696861 EC 번호: 209-689-4

GRADE & PURITY ≥98%

Synonyms

2,2-Dimethylhexane, 98% | UNII-G1EH35W01H | 2,2-DIMETHYLHEXANE | 2,2-dimethyl-hexane | InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H | AKOS015841499 | D89814 | 2,2-Dimethyl hexane | Hexane,2-dimethyl- | NSC174065 | NSC-174065 | DTXSID9073200 | (CH3)3C(CH2)3C

Storage

Room temperature

Shipped In

FedEx DG Service

개요

2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques).

Product description：

2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques). It was used to study the adsorption of linear and branched alkanes on a microporous silicoaluminophosphate material (SAPO-5) using chromatographic techniques.

Specifications

동의어

2,2-Dimethylhexane, 98% | UNII-G1EH35W01H | 2,2-DIMETHYLHEXANE | 2,2-dimethyl-hexane | InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H | AKOS015841499 | D89814 | 2,2-Dimethyl hexane | Hexane,2-dimethyl- | NSC174065 | NSC-174065 | DTXSID9073200 | (CH3)3C(CH2)3C

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

504752156

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752156

정식 스마일

CCCCC(C)(C)C

IUPAC Name

2,2-dimethylhexane

InChIKey

FLTJDUOFAQWHDF-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

이성체 SMILES

CCCCC(C)(C)C

WGK 독일

3

UN 번호

3295

분자량

114.23

Beilstein

1696861

Reaxy-Rn

1696861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696861&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: Insoluble in water, easily soluble in ethanol, and miscible in ether, acetone, chloroform, and benzene.
• 굴절률: 1.39
• 발화점(°F): 26.6 °F
• 발화점(°C): 6 °C
• 끓는점(°C): 106°C
• 분자량: 114.230 g/mol
• XLogP3: 4.100
• 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: 47.500
• 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 590-73-8, the molecular formula is C8H18, and the molecular weight is 114.23 g/mol. InChIKey FLTJDUOFAQWHDF-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.