1,2-Dicyclohexylethane
Basic information
- CAS
3321-50-4- Standard SMILES
C1CCC(CCC2CCCCC2)CC1- InChIKey
IBLVSWYGUFGDMF-UHFFFAOYSA-N- Molecular formula
- C14H26
- Average molar mass
- 194.36 g/mol
- Monoisotopic mass
- 194.20345083
Names & identifiers
- Preferred name
- 1,2-Dicyclohexylethane
- IUPAC
- 2-cyclohexylethylcyclohexane
- English name
- 1,2-Dicyclohexylethane
- Molecular formula
- C14H26
- Molecular weight
- 194.36
Names & synonyms
1,2-Dicyclohexylethane3321-50-4EINECS 222-032-6DTXSID70186860NSC 94064RefChem:411612DTXCID10109351222-032-62-cyclohexylethylcyclohexane(2-Cyclohexylethyl)cyclohexaneEthane, 1,2-dicyclohexyl-MFCD00013768
Show more names
TIMTEC-BB SBB008138ethane,1,2-dicyclohexyl-1 2-DICYCLOHEXYLETHANE 95%Cyclohexane, 1,1'-(1,2-ethanediyl)1,1'-(1,2-Ethanediyl)biscyclohexane
Cyclohexane, 1,1'-(1,2-ethanediyl)bis-NSC94064Ethane,2-dicyclohexyl-1,2-dicyclohexyl-ethaneNCIOpen2_001466SCHEMBL606551,2-Dicyclohexylethane, 97%SCHEMBL1524888
Database identifiers
- CAS
3321-50-4- PubChem CID
- 76838
- DTXSID
DTXSID70186860- EC Number
- 222-032-6
- Nikkaji
- J110.631G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 11.5 °C · 11.5°C
- Boiling point
- 270.85 °C · 270.85°C
- Density
- 0.8728 · 0.8728
- refractive index
- 1.4745 · 1.4745
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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