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

CAS: 591-48-0 Cat. No.: M158227 Summenformel: C₇H₁₂ Molekulargewicht: 96.17 Beilstein Registry Number: 5(4)247 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥93%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥93%(GC)

Namen und Kennungen

• Pubchem Sid: 504752160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752160
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1CCCC=C1
• Molekulargewicht: 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
    • Klasse Unsaturated hydrocarbons
      • Subclass Olefins
        • Ebene5 Cyclic olefins
          • Ebene6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ether, alcohol and benzene, insoluble in water
• Flammpunkt (°F): 26.6°F
• Flammpunkt (°C): -3°C(lit.)
• Siedepunkt (°C): 105°C(lit.)
• Molekulargewicht: 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

Referenzen

1. Shihao Su, Guojun Lv, Xuyang Zou, Jiangzhang Wang, Chaoyi Zhou, Yan Chen, Jialing Shen, Yangbin Shen, Zhongmin Liu.  (2023)  Room-temperature tandem conversion of cyclic alkenes into 1,2-diols using molecular oxygen and β-MnO2 heterogeneous catalyst.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC02863A]

2. Yan Chen, Guojun Lv, Xuyang Zou, Shihao Su, Jiangzhang Wang, Chaoyi Zhou, Jialing Shen, Yangbin Shen, Zhongmin Liu.  (2024)  High-electrophilic (SiO)2Nb(OH)(=O) sites confined in silanol defects over Nb-Beta zeolite for efficient cyclic alkene epoxidation reactions.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38490038] [10.1016/j.jcis.2024.03.076]

3. Shihao Su, Guojun Lv, Jialing Shen, Fuxin Wang, Lachgar Oussama, Yan Chen, Shengnan Xu.  (2025)  Pickering Interfacial Tandem Catalysis of Alkenes to 1,2-Diols over Manganese Oxide Catalysts at Room Temperature.  ACS Catalysis,      [PMID:] [10.1021/acscatal.4c06225]

Häufig gestellte Fragen

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.