1-Methyl-1-cyclohexene - ≥97% , CAS No.591-49-1

CAS: 591-49-1 Cat. No.: M158209 Molecular Weight: 96.17 Beilstein Registry Number: 1304480 EC Number: 209-718-0

GRADE & PURITY ≥97%

Synonyms

AKOS015912507 | 1-Methylcyclohex-1-ene | 2,3,4,5-Tetrahydrotoluene | Cyclohexene, methyl- | Z1250167423 | 1-Methyl-1-cyclohexene | ghl.PD_Mitscher_leg0.949 | METHYLCYCLOHEXENE | NSC66539 | NSC-66539 | 2-methylcyclohexene | FT-0608029 | InChI=1/C7H12/c1-7-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS015912507 | 1-Methylcyclohex-1-ene | 2, 3, 4, 5-Tetrahydrotoluene | Cyclohexene, methyl- | Z1250167423 | 1-Methyl-1-cyclohexene | ghl.PD_Mitscher_leg0.949 | METHYLCYCLOHEXENE | NSC66539 | NSC-66539 | 2-methylcyclohexene | FT-0608029 | InChI=1/C7H12/c1-7-

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752161
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752161
• Canonical Smiles: CC1=CCCCC1
• IUPAC Name: 1-methylcyclohexene
• InChIKey: CTMHWPIWNRWQEG-UHFFFAOYSA-N
• INCHI: 1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
• Isomeric SMILES: CC1=CCCCC1
• WGK Germany: 2
• Molecular Weight: 96.17
• Beilstein: 1304480
• Reaxy-Rn: 1304483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1304483&ln=

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Alcohol,Benzene,Ether
• Refractive Index: 1.45
• Flash Point(°F): 24.8 °F
• Flash Point(°C): -3°C(lit.)
• Boil Point(°C): 110°C
• Molecular Weight: 96.170 g/mol
• XLogP3: 2.400
• 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: 80.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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. Genkuo Nie, Yiying Dai, Junjian Xie, Xiangwen Zhang, Lun Pan, Ji-Jun Zou.  (2020)  Improving low-temperature properties of lignin-derived jet-fuel-ranged hydrocarbons via hydroisomerization.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2020.01.033]

3. 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]

4. 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]

5. 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]