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CIS,TRANS,CIS-1,2,3-TRIMETHYLCYCLOHEXANE
1. Names and Identifiers
- 1.1 Name
- CIS,TRANS,CIS-1,2,3-TRIMETHYLCYCLOHEXANE
- 1.2 Synonyms
- 1,2,3,4,5,6-hexamethyl-cyclohexane; 1,2,3-trimethylcyclohexane,cis; 1,cis-2,cis-3-trimethylcyclohexane; 1-cis-2-cis-3-trimethylcyclohexane; 1r,2c,3c,4c,5c,6c-Hexamethylcyclohexan; 1r,2c,3c-Trimethyl-cyclohexan; 1r,2c,3c-trimethylcyclohexane; 1r,2-trans,3-cis-Trimethylcyclohexan; all-cis-1,2,3-Trimethyl-cyclohexan; c,t,c-1,2,3-TRIMETHYLCYCLOHEXANE; cis,cis,cis-1,2,3-Trimethyl-cyclohexan; CIS,TRANS,CIS-1,2,3-TRIMETHYLCYCLOHEXANE; cis-1,2,3-Trimethylcyclohexane; Cyclohexane, 1,2,3-trimethyl-, (1α,2α,3α)-; Cyclohexane, 1,2,3-trimethyl-, cis; Cyclohexane,1,2,3,4,5,6-hexamethyl; Hexamethylcyclohexan;
- 1.3 CAS No.
- 1839-88-9
- 1.4 CID
- 6432164
- 1.5 Molecular Formula
- C9H18
- 1.6 Inchi
- InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3/t7-,8+,9?
- 1.7 InChkey
- DQTVJLHNWPRPPH-JVHMLUBASA-N
- 1.8 Canonical Smiles
- CC1CCCC(C1C)C
- 1.9 Isomers Smiles
- C[C@@H]1CCC[C@@H](C1C)C
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computed Properties
- Molecular Weight：126.23922g/mol
- Molecular Formula：C9H18
- Compound Is Canonicalized：True
- Exact Mass：4
- XLogP3-AA：126.140850574
- Monoisotopic Mass：126.140850574
- Complexity：76
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：0
- Topological Polar Surface Area：0
- Heavy Atom Count：：9
- Defined Atom Stereocenter Count：2
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOgAAAAAAAAAAAAAQAACAAAAAAAAAAAA==
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Update Time:2019/11/25
5. Realated Product Infomation
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