Basic information
- CAS
16747-50-5- Standard SMILES
CCC1(C)CCCC1- InChIKey
LETYIFNDQBJGPJ-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 1-Ethyl-1-methylcyclopentane
- IUPAC
- 1-ethyl-1-methylcyclopentane
- English name
- 1-ETHYL-1-METHYLCYCLOPENTANE
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
1-ETHYL-1-METHYLCYCLOPENTANECyclopentane, 1-ethyl-1-methyl-1-Methyl-1-ethylcyclopentaneDTXSID80168293RefChem:75712DTXCID2090784689-392-8LETYIFNDQBJGPJ-UHFFFAOYSA-N16747-50-511 -Methyl-1 -ethylcyclopentane1-ethyl-1-methyl-cyclopentaneCyclopentane, 1-ethyl-1- methyl-
Show more names
cyclopentane,1-ethyl-1-methyl-
methylethylcyclopentaneSCHEMBL5240SCHEMBL597791SCHEMBL2223857SCHEMBL3587511SCHEMBL7159584SCHEMBL12475342SCHEMBL17310098
Database identifiers
- CAS
16747-50-5- PubChem CID
- 28030
- DTXSID
DTXSID80168293- EC Number
- 689-392-8
- Nikkaji
- J44.135J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -112.84 °C · -112.84°C (estimate)
- Boiling point
- 121.55 °C · 121.55°C
- Density
- 0.777 · 0.7770
- refractive index
- 1.4248 · 1.4248
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Henry's Law Constant
- 1.1 · 1.1×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Stability
- Volatile
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 30% (3 of 10) of reports.
Danger
H225 (70%): 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 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (70%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H335-H315-H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1-Ethyl-1-methylcyclopentane, is one of the chemical components of Gas-Phase organic carbon emissions from motor vehicles. It is also a volatile component of frying oils.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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