Basic information
- CAS
68092-41-1- Standard SMILES
CCC(CC)COC(=O)CC1=CCCC1- InChIKey
CSJDIMDBOKPNRB-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
- IUPAC
- 2-ethylbutyl 2-(cyclopenten-1-yl)acetate
- English name
- 2-ethylbutyl cyclopent-1-ene-1-acetate
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
68092-41-11-Cyclopentene-1-acetic acid, 2-ethylbutyl ester2-Ethylbutyl cyclopent-1-ene-1-acetate3L38K4W3YKEINECS 268-454-4DTXSID10710822-ETHYLBUTYL 1-CYCLOPENTENE-1-ACETATERefChem:431757DTXCID80455152-ethylbutyl 2-(cyclopenten-1-yl)acetate2-ETHYLBUTYL 2-(CYCLOPENT-1-EN-1-YL)ACETATEUNII-3L38K4W3YK
Show more names
2-Ethylbutylcyclopent-1-en-1-acetat1-Cyclopentene-1-acetic acid 2-ethylbutyl ester
CSJDIMDBOKPNRB-UHFFFAOYSA-N2-ethyl butyl cyclopent-1-ene acetate2-Ethylbutyl (cyclopent-1-en-1-yl)acetateNS00012376
Database identifiers
- CAS
68092-41-1- PubChem CID
- 106571
- DTXSID
DTXSID1071082- UNII
- 3L38K4W3YK
- EC Number
- 268-454-4
- Nikkaji
- J289.048H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.173 · 4.173 (est)
- FDA UNII
- 3 L38K4W3YK · 3L38K4W3YK
- EPA Substance Registry System
- 1 · 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester (68092-41-1)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
Other Safety InformationIMAP assessments - 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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