4-Methyl-1-cyclohexene - ≥97% , CAS No.591-47-9

CAS: 591-47-9 Cat. No.: M304079 Molecular Weight: 96.17 EC Number: 209-715-4

GRADE & PURITY ≥97%

Synonyms

EN300-103785 | Cyclohexene, 4-methyl- | MFCD00001573 | NSC 9386 | M0201 | 4-METHYLCYCLOHEXENE | 4-methyl-cyclohexene | FT-0618984 | AKOS015842661 | 4-Methyl-1-cyclohexene | 4-Methylcyclohexene-1 | 4-Methylcyclohexene, 99% | 2N22W8H0JX | DTXSID10862257 | U

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Overview

Application：

4-Methyl-1-cyclohexene is used in the synthesis of an enantiomerically pure oxaliplatin derivative, {(1R,2R,4R)-4-Methyl-1,2-cyclohexanediamine}oxalatoplatinum(II), which exhibits good anticancer activity. It is also used in the preparation of N,N-diethyldithiocarbamate functionalized 1,4-polyisoprenes.

Specifications

Synonyms

EN300-103785 | Cyclohexene, 4-methyl- | MFCD00001573 | NSC 9386 | M0201 | 4-METHYLCYCLOHEXENE | 4-methyl-cyclohexene | FT-0618984 | AKOS015842661 | 4-Methyl-1-cyclohexene | 4-Methylcyclohexene-1 | 4-Methylcyclohexene, 99% | 2N22W8H0JX | DTXSID10862257 | U

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1CCC=CC1
• IUPAC Name: 4-methylcyclohexene
• InChIKey: FSWCCQWDVGZMRD-UHFFFAOYSA-N
• INCHI: 1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
• Isomeric SMILES: CC1CCC=CC1
• WGK Germany: 3
• Molecular Weight: 96.17
• Reaxy-Rn: 1901299
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901299&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.4400-1.4420
• Flash Point(°F): 19.4 °F
• Flash Point(°C): -7 °C
• Boil Point(°C): 104°C
• Molecular Weight: 96.170 g/mol
• XLogP3: 2.700
• 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

References

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]

4. Shihao Su, Xuyang Zou, Guojun Lv, Fuxin Wang, Yangbin Shen.  (2025)  One-pot tandem conversion of alkenes into 1,2-diols over efficient bifunctional tin-tungsten oxide catalysts.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40378450] [10.1016/j.jcis.2025.137875]