Ethyl cyclopentanecarboxylate

HCID 79550CAS 5453-85-0

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C1CCCC1
InChIKey: UWSJCCUODNDXOT-UHFFFAOYSA-N
Molecular formula: C8H14O2
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.09937969

Names & identifiers

Preferred name: Ethyl cyclopentanecarboxylate
IUPAC: ethyl cyclopentanecarboxylate
English name: ethyl cyclopentanecarboxylate
Molecular formula: C8H14O2
Molecular weight: 142.2

Names & synonyms

Ethyl cyclopentanecarboxylate5453-85-0Cyclopentanecarboxylic acid, ethyl esterethyl cyclopentylcarboxylate2KB7W3C29QEINECS 226-699-4NSC-18903CARBETHOXYCYCLOPENTANEDTXSID60202942NSC 18903RefChem:138905DTXCID90125433

Show more names

cyclopentanethyl formateEthyl cylcopentanecarboxylateCyclopentane-1-carboxylic acid ethyl ester

226-699-4UWSJCCUODNDXOT-UHFFFAOYSA-Nethyl cyclopentane carboxylateMFCD00049160cyclopentanecarboxylic acid ethyl esterethylcyclopentanecarboxylateUNII-2KB7W3C29QSCHEMBL18367

Database identifiers

CAS: 5453-85-0
PubChem CID: 79550
DTXSID: DTXSID60202942
UNII: 2KB7W3C29Q
EC Number: 226-699-4
Nikkaji: J210.504G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 109 °C · 109 °C
Boiling point: 172 · 172-174 °C(Press: 752 Torr)
Density: 0.9583 g/cm3 · 0.9583 g/cm3
refractive index: 1.43 · 1.43
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C8H14O2/c1-2-10-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKey: UWSJCCUODNDXOT-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)CCCC1
FDA UNII: 2 KB7W3C29Q · 2KB7W3C29Q
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
RIDADR: 1993 · UN1993
HazardClass: 3 · 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: UN1993
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 3
Hazard statements: H302
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P305+P351+P338