3-Methyl-1-cyclohexene - ≥93%(GC) , CAS No.591-48-0

CAS: 591-48-0 Cat. No.: M158227 Fórmula: C₇H₁₂ Peso molecular: 96.17 Beilstein Registry Number: 5(4)247 Número CE: 209-717-5

GRADE & PURITY ≥93%(GC)

Synonyms

3-methyl cyclohexene | 3-METHYL-1-CYCLOHEXENE | NSC 72091 | 3-methylcyclohexene-1 | 3-Methylcyclohex-1-ene | 3-Methylcyclohexene | 3-methyl-cyclohexene | 3-METHYLCYCLOHEXENE, (+/-)- | SY053359 | (+/-)-3-Methylcyclohexene | UZPWKTCMUADILM-UHFFFAOYSA-N | M1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-methyl cyclohexene | 3-METHYL-1-CYCLOHEXENE | NSC 72091 | 3-methylcyclohexene-1 | 3-Methylcyclohex-1-ene | 3-Methylcyclohexene | 3-methyl-cyclohexene | 3-METHYLCYCLOHEXENE, (+/-)- | SY053359 | (+/-)-3-Methylcyclohexene | UZPWKTCMUADILM-UHFFFAOYSA-N | M1

Especificações e pureza

≥93%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥93%(GC)

Nomes e identificadores

Pubchem Sid

504752160

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752160

Sorrisos canónicos

CC1CCCC=C1

IUPAC Name

3-methylcyclohexene

InChIKey

UZPWKTCMUADILM-UHFFFAOYSA-N

INCHI

1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3

SMILES isoméricas

CC1CCCC=C1

Peso molecular

96.17

Beilstein

5(4)247

Reaxy-Rn

1848550

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in ether, alcohol and benzene, insoluble in water
• Ponto de inflamação (°F): 26.6°F
• Ponto de inflamação (°C): -3°C(lit.)
• Ponto de ebulição (°C): 105°C(lit.)
• Peso molecular: 96.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 96.0939 Da
• Monoisotopic Mass: 96.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

How should this product be stored?

Store at room temperature.

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

This product is supplied at ≥93% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 591-48-0, the molecular formula is C7H12, and the molecular weight is 96.17 g/mol. InChIKey UZPWKTCMUADILM-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.