Ethyl cyclopentylacetate
Basic information
- CAS
18322-54-8- Standard SMILES
CCOC(=O)CC1CCCC1- InChIKey
DBSADESEDBCPFO-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Ethyl cyclopentylacetate
- IUPAC
- ethyl 2-cyclopentylacetate
- English name
- 2-cyclopentylacetic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
ethyl cyclopentylacetateRefChem:596166631-594-5Ethyl 2-cyclopentylacetate18322-54-8Cyclopentaneacetic acid, ethyl esterMFCD00019300Cyclopentaneaceticacid, ethyl esterEthyl2-cyclopentylacetateNSC626792-cyclopentylacetic acid ethyl esterSCHEMBL696376
Show more names
2-cyclopentylacetic acidCyclopentyl-acetic acid ethyl esterStructure image Ethyl 2-Cyclopentylacetate
SCHEMBL696377SCHEMBL1439129SCHEMBL8761172SCHEMBL11066828DBSADESEDBCPFO-UHFFFAOYSA-cyclopentylacetic acid ethyl esterDTXSID00289671DBSADESEDBCPFO-UHFFFAOYSA-N
Database identifiers
- CAS
18322-54-8- PubChem CID
- 247667
- DTXSID
DTXSID00289671- EC Number
- 631-594-5
- Nikkaji
- J910.116K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 174 °C · 174 °C(Press: 5 Torr)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413
- Precautionary statements
- 501 · P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H413
- Precautionary statements
- P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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