1,3-Dimethylcyclopentane
Basic information
- CAS
2453-00-1- Standard SMILES
CC1CCC(C)C1- InChIKey
XAZKFISIRYLAEE-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 1,3-Dimethylcyclopentane
- IUPAC
- 1,3-dimethylcyclopentane
- English name
- 1,3-DIMETHYLCYCLOPENTANE
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
1,3-DIMETHYLCYCLOPENTANECyclopentane, 1,3-dimethyl-2453-00-1EINECS 219-521-1DTXSID10871849RefChem:727321,3Dimethyl cyclopentaneDTXCID10819468219-521-1XAZKFISIRYLAEE-UHFFFAOYSA-NMFCD000454281,3-dimethyl cyclopentane
Show more names
Cyclopentane,1,3-dimethyl-1,3-DIMETHYLCYCLOPENTANE ISO 9001：2015 REACH
1,3-dimethyl-cyclopentaneSCHEMBL446772SCHEMBL446773SCHEMBL467945SCHEMBL575091SCHEMBL910899SCHEMBL1933557SCHEMBL2890494
Database identifiers
- CAS
2453-00-1- PubChem CID
- 17149
- DTXSID
DTXSID10871849- EC Number
- 219-521-1
- Nikkaji
- J23.247E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 49.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Flash PointFlash point < 21 °C
Physical DescriptionColorless liquid; [CHEMINFO]
Physicochemical properties
- Melting point
- -138.55 °C · -138.55°C
- Boiling point
- 91.18 °C · 91.18°C
- Density
- 0.7361 · 0.7361 (estimate)
- refractive index
- 1.414 · 1.4140
- EPA Substance Registry System
- 1 · Cyclopentane, 1,3-dimethyl- (2453-00-1)
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
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryInhalation of high concentrations can cause CNS depression; [CHEMINFO]
Hazard Classes and CategoriesNot Classified
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Uses & manufacturing
UsesUsed as a solvent and in organic synthesis; [CHEMINFO]
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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