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cis-1,3-Dimethylcyclohexane - 99%, high purity , CAS No.638-04-0
Basic Description
Synonyms
c-1,3-dimethylcyclohexane | 1,3-Dimethylcyclohexane, cis- | DTXSID30858738 | 1,3-dimethyl(cis)-cyclohexane | AKOS025295579 | Cyclohexane, cis-1,3-dimethyl- | REL-(1R,3S)-1,3-DIMETHYLCYCLOHEXANE | (Z)-1,3-Dimethylcyclohexane | D1055 | 1,cis-3-Dimethylcyclo
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
cis-1,3-Dimethylcyclohexane undergoes ring opening reaction via dicarbene mechanism in the presence of iridium catalyst supported on SiO2
Taxonomic Classification
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
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.
Names and Identifiers
Pubchem Sid
504758121
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758121
IUPAC Name
(1R,3S)-1,3-dimethylcyclohexane
INCHI
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKey
SGVUHPSBDNVHKL-OCAPTIKFSA-N
Smiles
CC1CCCC(C1)C
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
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
Citations of This Product
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,
364
(132505).
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1 Citations
F2309519