cis-1,3-Dimethylcyclopentane
Completing data — refresh the page later to see the latest
Basic information
- CAS
2532-58-3- Standard SMILES
C[C@@H]1CC[C@H](C)C1- InChIKey
XAZKFISIRYLAEE-KNVOCYPGSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- cis-1,3-Dimethylcyclopentane
- IUPAC
- cis-(1S,3R)-1,3-dimethylcyclopentane
- English name
- cis-1,3-Dimethylcyclopentane
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
cis-1,3-Dimethylcyclopentane2532-58-3(1R,3S)-1,3-dimethylcyclopentaneCyclopentane, 1,3-dimethyl-, cis-Cyclopentane, 1,3-dimethyl-, (1R,3S)-rel-(1S,3R)-1,3-dimethylcyclopentaneMFCD00045428EINECS 219-793-1c-1,3-Dimethylcyclopentane1,3-Dimethylcyclopentane cis1-cis-3-dimethylcyclopentaneSCHEMBL597545
Show more names
SCHEMBL1921197SCHEMBL5573230DTXSID50883860AKOS025295001SY108084DB-254234NS00045964InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7
Database identifiers
- CAS
2532-58-3- PubChem CID
- 17326
- DTXSID
DTXSID50883860- EC Number
- 219-793-1
- Nikkaji
- J43.466C
Properties
Computed structural propertiesFilling in
- 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 PropertiesBoiling point
Vapor Pressure66.2 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
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
Danger
H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; Vapors cause drowsiness and dizziness; Harmful by ingestion; An aspiration hazard by ingestion (may cause lung damage); A possible sensitizer (based on QSAR modeling); [Sigma-Aldrich MSDS] See Methylcyclopentane.
Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentane, 1,3-dimethyl-, (1R,3S)-rel-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…