CAS 10472-24-9 Cyclopentanecarboxylic acid, 2-oxo-, methyl ester (HCID 66328)

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Basic information

CAS: 10472-24-9
Standard SMILES: COC(=O)C1CCCC1=O
InChIKey: PZBBESSUKAHBHD-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Names & identifiers

Preferred name: Cyclopentanecarboxylic acid, 2-oxo-, methyl ester
IUPAC: methyl 2-oxocyclopentane-1-carboxylate
English name: Methyl 2-cyclopentanonecarboxylate
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

Methyl 2-oxocyclopentanecarboxylateCyclopentanecarboxylic acid, 2-oxo-, methyl esterEINECS 233-962-7DTXSID50884473Methylcyclopentanone-2-carboxylateRefChem:129858DTXCID701023909233-962-7PZBBESSUKAHBHD-UHFFFAOYSA-N10472-24-9Methyl 2-cyclopentanonecarboxylatemethyl 2-oxocyclopentane-1-carboxylate

Show more names

CPCMMethyl-2-oxycyclopentanecarboxylateLoxoprofen Impurity 58Mehyl-2-oxocyclopentaneCARBOMETHOXYCYCLOPENTANONE2-Oxocyclopentanecarboxylic

2-carbmethoxycyclopentanoneMethyl cyclopentanone-2-carboxylateMFCD000014112-MethoxycarbonylcyclopentanoneLoxoprofen Impurity 25methyl-2-oxocyclopentane carboxylatemethyl-2-oxocyclopentanoate2-methoxycarbonylcylopentanone

Database identifiers

CAS: 10472-24-9
PubChem CID: 66328
DTXSID: DTXSID50884473
EC Number

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 123 · 123-125 °C
Boiling point: 105 °C19 · 105 °C19 mm Hg(lit.)
Density: 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.456(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform, Ethyl Acetate
pka: 12 · 12.00±0.20(Predicted)
form: Liquid
Specific Gravity: 1.12 · 1.12
color: Clear colorless to slight yellow
BRN: 971717 · 971717
InChI: 1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3
InChIKey: PZBBESSUKAHBHD-UHFFFAOYSA-N
SMILES: COC(=O)C1CCCC1=O
LogP: -0.179 · -0.179 (est)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Warning

H227 (28.6%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (28.6%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: TSCA listed
hs_code: 29183000
risk_code: 36/37/38-10
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 23-24/25-36-26
Storage Class: 10 - Combustible liquids
Hazard statements: H227
Precautionary statements: P210-P280-P403+P235-P501