1,2-Dimethylcyclopentane
Basic information
- CAS
2452-99-5- Standard SMILES
CC1CCCC1C- InChIKey
RIRARCHMRDHZAR-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Overview
1,2-dimethylcyclopentane is a cycloalkane.
Names & identifiers
- Preferred name
- 1,2-Dimethylcyclopentane
- IUPAC
- 1,2-dimethylcyclopentane
- English name
- 1，2-Dimethylcyclopentane
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
1,2-DIMETHYLCYCLOPENTANE2452-99-5YR4X6G479WDTXSID80873330RefChem:1052299DTXCID10811649219-520-6Cyclopentane, 1,2-dimethyl-Cyclopentane, dimethyl-CIS-1,2-DIMETHYL-CYCLOPENTANEEINECS 219-520-61,2-dimethyl cyclopentane
Show more names
，2-Dimethylcyclopentane1，2-Dimethylcyclopentane1，2-Dimethylcyclopentane ISO 9001：2015 REACH
1,2-dimethyl-cyclopentaneSCHEMBL52781,2-Dimethylcyclopentane #UNII-YR4X6G479WSCHEMBL303875SCHEMBL427469SCHEMBL427470SCHEMBL575445
Database identifiers
- CAS
2452-99-5、28729-52-4- PubChem CID
- 17148
- DTXSID
DTXSID80873330- ChEBI
CHEBI:187606- EC Number
- 219-520-6
- Nikkaji
- J23.248C
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
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Vapor Pressure47.2 [mmHg]
Physicochemical properties
- Melting point
- -119.05 °C · -119.05°C
- Boiling point
- 96.85 °C · 96.85°C
- Density
- 0.745 · 0.7450 (estimate)
- refractive index
- 1.4119 · 1.4119 (estimate)
- FDA UNII
- 4 X6G479W · YR4X6G479W
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P264-P261-P271-P303+P361+P353-P370+P378-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P235-P403+P233-P405-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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCyclopentane, dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee Methylcyclopentane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P264-P261-P271-P303+P361+P353-P370+P378-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P235-P403+P233-P405-P501
Chemistry & industry
Additional notes
DefinitionChEBI: 1,2-dimethylcyclopentane is a cycloalkane.
Suppliers
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Compound notes
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