Dicyclohexylmethane - ≥98% , CAS No.3178-23-2

CAS: 3178-23-2 Cat. No.: D1345496 Molecular Weight: 180.33

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)CC2CCCCC2
• IUPAC Name: cyclohexylmethylcyclohexane
• InChIKey: XXKOQQBKBHUATC-UHFFFAOYSA-N
• INCHI: 1S/C13H24/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h12-13H,1-11H2
• Molecular Weight: 180.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Saturated hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saturated hydrocarbons
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Saturated hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as saturated hydrocarbons. These are hydrocarbons that contains only saturated carbon atoms, which are linked to one another through single bonds. These includes alkanes and cycloalkanes.
• 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

• Molecular Weight: 180.330 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 180.188 Da
• Monoisotopic Mass: 180.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 111.000
• 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. Xiaohua Li, Miaomiao Hu, Qiang Wang, Ming Liu, Jianwei Wang, Yongxu Xie, Jintang Guo.  (2025)  Preparation of boron nitride reinforced epoxy phase change microcapsules for the cementing of natural gas hydrate layers.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.142450]

2. Changqing Peng, Dongmei Xie, Hongzhi Liu.  (2025)  The Critical Role of Diisocyanate Structure in Toughening PLA via Dynamic Vulcanization of Hydrogenated Dimer Acid.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57608]

3. Duan Yuan, Li Jing-Yi, Ding Yong-Bo, Qiao Yong-Luo, Shen Liang, Li Xin-Gui.  (2025)  UV-curable waterborne polyurethane acrylate coatings prepared from bio-based alkyd polyols.  Journal of Coatings Technology and Research,      [PMID:] [10.1007/s11998-025-01108-5]

4. Xingshan Yin, Zhiyi Huang, Xuan Zhao, Butong Li, Jianxin Wu, Yongliang Kuang, Yingjuan Sun, Xiaofeng Lin, Wenjing Lin, Lei Ji, Guobin Yi.  (2025)  Mismatched Hydrogen Bond Donor-Acceptor Stoichiometry Strategy Enables High-Strength, Crack-Resistant, and Recyclable Thermosetting Polyurethane Elastomer.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202514438]

5. Xiaobing Ma, Xiangbin Sun, Rongmin Wang, Xiaoyu Han, Yuanyuan Xie, Yufeng He, Pengfei Song.  (2025)  Synthesis of “Offensive and Defensive Integrated” Cyclodextrin-Grafted N+-borneol Esters Antibacterial Polymer via RAFT.  ACS Applied Bio Materials,      [PMID:40977538] [10.1021/acsabm.5c01371]