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

CAS: 638-04-0 Cat. No.: C153348 Fórmula: C₈H₁₆ Peso molecular: 112.22 Beilstein Registry Number: 5,36 Número EC: 211-316-5

CALIDAD & PUREZA ≥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

Descripción general

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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504758121

Pubchem Sid Url

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

Sonrisas canónicas

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+

Isómeros SMILES

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

WGK Alemania

3

Número ONU

2263

Grupo de embalaje

II

Peso molecular

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
    • Clase Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.42
• Punto de inflamación (°F): 42.8 °F
• Punto de inflamación (°C): 6°C(lit.)
• Punto de ebullición (°C): 120°C(lit.)
• Peso molecular: 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

Preguntas frecuentes

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.