≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
cis-1,3-Dimethylcyclohexane undergoes ring opening reaction via dicarbene mechanism in the presence of iridium catalyst supported on SiO2
| Pubchem Sid | 504758121 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758121 |
| Canonical Smiles | CC1CCCC(C1)C |
| IUPAC Name | (1R,3S)-1,3-dimethylcyclohexane |
| InChIKey | SGVUHPSBDNVHKL-OCAPTIKFSA-N |
| INCHI | 1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+ |
| Isomeric SMILES | C[C@@H]1CCC[C@@H](C1)C |
| WGK Germany | 3 |
| UN Number | 2263 |
| Packing Group | II |
| Molecular Weight | 112.22 |
| Beilstein | 5,36 |
| Reaxy-Rn | 1900339 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900339&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 | Not available |
| Refractive Index | 1.42 |
|---|---|
| Flash Point(°F) | 42.8 °F |
| Flash Point(°C) | 6°C(lit.) |
| Boil Point(°C) | 120°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 | 58.400 |
| 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 |
| 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. Jinhui He, Jun Yang, Jingdong Gou, Xue Ma, Yaning Zhao, Huiyong Chen, Xianjie Wang, Louwei Cui, Hong Hao, Liuyi Pan, Dong Li. (2025) Precision pore engineering in coconut shell-derived carbon molecular sieves enables high-efficiency separation of cis/trans-1,3-dimethylcyclohexane isomers. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2025.135116] |
G2508269