cis-1,3-Dimethylcyclohexane - ≥99% , CAS No.638-04-0

CAS: 638-04-0 Cat. No.: C153348 分子式: C₈H₁₆ 分子量: 112.22 Beilstein Registry Number: 5,36 EC番号: 211-316-5

グレード＆純度 ≥99%

Synonyms

c-1,3-dimethylcyclohexane | 1,3-Dimethylcyclohexane, cis- | DTXSID30858738 | 1,3-dimethyl(cis)-cyclohexane | AKOS025295579 | Cyclohexane, cis-1,3-dimethyl- | REL-(1R,3S)-1,3-DIMETHYLCYCLOHEXANE | (Z)-1,3-Dimethylcyclohexane | D1055 | 1,cis-3-Dimethylcyclo

Storage

Room temperature

Shipped In

Normal

概要

cis-1,3-Dimethylcyclohexane undergoes ring opening reaction via dicarbene mechanism in the presence of iridium catalyst supported on SiO2

仕様

同義語

c-1,3-dimethylcyclohexane | 1,3-Dimethylcyclohexane, cis- | DTXSID30858738 | 1,3-dimethyl(cis)-cyclohexane | AKOS025295579 | Cyclohexane, cis-1,3-dimethyl- | REL-(1R,3S)-1,3-DIMETHYLCYCLOHEXANE | (Z)-1,3-Dimethylcyclohexane | D1055 | 1,cis-3-Dimethylcyclo

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

504758121

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504758121

カノニカル・スマイル

CC1CCCC(C1)C

IUPAC Name

(1R,3S)-1,3-dimethylcyclohexane

InChIKey

SGVUHPSBDNVHKL-OCAPTIKFSA-N

INCHI

1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+

異性体SMILES

C[C@@H]1CCC[C@@H](C1)C

WGKドイツ

3

UN番号

2263

包装グループ

II

分子量

112.22

Beilstein

5,36

Reaxy-Rn

1900339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

• 屈折率: 1.42
• 引火点（°F）: 42.8 °F
• 引火点（°C）: 6°C(lit.)
• 沸点（°C）: 120°C(lit.)
• 分子量: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 58.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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 ≥99% 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 ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 638-04-0, the molecular formula is C8H16, and the molecular weight is 112.22 g/mol. InChIKey SGVUHPSBDNVHKL-OCAPTIKFSA-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.