Basic information
- CAS
1331-43-7- Standard SMILES
CCC1CCC(CC)CC1- InChIKey
SMAKEJNOUFLEEJ-UHFFFAOYSA-N- Molecular formula
- C10H20
- Average molar mass
- 140.27 g/mol
- Monoisotopic mass
- 140.15650064
Names & identifiers
- Preferred name
- Diethylcyclohexane
- IUPAC
- 1,4-diethylcyclohexane
- English name
- diethylcyclohexane(mixed isomers)
- Molecular formula
- 1331-43-7
- Molecular weight
- 140.27
Names & synonyms
1331-43-7Cyclohexane, diethylRefChem:587350DTXSID701058190Cyclohexane, diethyl (mixed isomers)Diethylcyclohexane1,4-DiethylcyclohexaneCyclohexane, 1,4-diethylTrans-1,4-diethylcyclohexane1679-00-11,4-Diethylcyclohexane #cis-1,4-Diethylcyclohexane
Show more names
diethylcyclohexane(mixed isomers)
Cyclohexane, 1,4-diethyl-SCHEMBL953022SCHEMBL1438616SCHEMBL2150283SCHEMBL2222242SCHEMBL2762464SCHEMBL6525766SCHEMBL10355207
Database identifiers
- CAS
1331-43-7、13990-92-6、13990-93-7、1679-00-1- PubChem CID
- 14910
- DTXSID
DTXSID50897346- Nikkaji
- J1.367.319E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 66
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Vapor Pressure2.9 [mmHg]
Physical DescriptionLiquid.
Physicochemical properties
- Melting point
- -99.9 °C · -99.9°C
- Boiling point
- 171.82 °C · 171.82°C (estimate)
- Density
- 0.804 · 0.8040
- refractive index
- 1.422 · 1.4220 (estimate)
- EPA Substance Registry System
- Cyclohexane, diethyl- (1331-43-7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryA mild skin and eye irritant; [RTECS] See Ethylcyclohexane.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLCLo (rat) = 2,000 ppm/4hr
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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