2,2-ジメチルヘキサン - ≥98% , CAS No.590-73-8

CAS: 590-73-8 Cat. No.: D106282 分子式: C₈H₁₈ 分子量: 114.23 Beilstein Registry Number: 1696861 EC番号: 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

ノーマル

概要

商品説明

2,2-ジメチルヘキサンは、500Torr、298Kの模擬タイタン大気（窒素中アルゴン2％、メタン10％）のコロナ放電による生成物の一つである（GC-FTIR-MS法を使用）。これを用いて、クロマトグラフィー技術を用いたマイクロポーラスシリコアルミノホスフェート材料（SAPO-5）への直鎖状および分岐状アルカンの吸着を研究した。

Specifications

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

504752156

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCC(C)(C)C

WGKドイツ

3

UN番号

3295

分子量

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
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water, easily soluble in ethanol, and miscible in ether, acetone, chloroform, and benzene.
• 屈折率: 1.39
• 引火点（°F）: 26.6 °F
• 引火点（°C）: 6 °C
• 沸点（°C）: 106°C
• 分子量: 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

よくある質問

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.