GRADE & PURITY ≥98%(GC)

Synonyms

(1R,2S)-1,2-dimethylcyclohexane | AI3-28849 | AKOS025293899 | D0696 | c-1,2-Dimethylcyclohexane | BS-52900 | NSC74157 | NSC-74157 | Cyclohexane, 1,cis-2-dimethyl- | EINECS 218-621-2 | LMFA11000636 | 1,2-DIMETHYLCYCLOHEXANE (CIS) | D89702 | REL-(1R,2S)-1,2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(1R, 2S)-1, 2-dimethylcyclohexane | AI3-28849 | AKOS025293899 | D0696 | c-1, 2-Dimethylcyclohexane | BS-52900 | NSC74157 | NSC-74157 | Cyclohexane, 1, cis-2-dimethyl- | EINECS 218-621-2 | LMFA11000636 | 1, 2-DIMETHYLCYCLOHEXANE (CIS) | D89702 | REL-(1R, 2S)-1, 2

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC1CCCCC1C
• IUPAC Name: (1S,2R)-1,2-dimethylcyclohexane
• InChIKey: KVZJLSYJROEPSQ-OCAPTIKFSA-N
• INCHI: 1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+
• Isomeric SMILES: C[C@@H]1CCCC[C@@H]1C
• UN Number: 2263
• Molecular Weight: 112.22
• Reaxy-Rn: 1900320
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• External Descriptors: Hydrocarbons

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: 1.44
• Flash Point(°F): 12°C(lit.)
• Flash Point(°C): 12°C(lit.)
• Boil Point(°C): 130°C(lit.)
• Molecular Weight: 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: 56.400
• 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

References

1. Xianjie Wang, Jingdong Gou, Louwei Cui, Jinhui He, Xue Ma, Yaning Zhao, Liuyi Pan, Huiyong Chen, Zhe Jin, Hongyan Wang, Yonghong Zhu, Dong Li.  (2025)  Carbon molecular sieves for real industrial feedstock separation of C8 cycloalkanes: A study on pore size distribution and surface functionalization.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132505]

2. Jingdong Gou, Xianjie Wang, Qibin Xia, Jinhui He, Xue Ma, Yaning Zhao, Hengsheng Wei, Louwei Cui, Huiyong Chen, Jun Yang, Liuyi Pan, Dong Li.  (2026)  Investigation on pore size regulation of carbon molecular sieves at sub-nanometer scale and their separation performance for C8 cycloalkane isomers.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2026.103483]