2-Cyclohexenyl benzoate
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Basic information
- CAS
3352-93-0- Standard SMILES
O=C(OC1C=CCCC1)c1ccccc1- InChIKey
APZIYLKXAJJSIZ-UHFFFAOYSA-N- Molecular formula
- C13H14O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.09937969
Names & identifiers
- Preferred name
- 2-Cyclohexenyl benzoate
- IUPAC
- cyclohex-2-en-1-yl benzoate
- English name
- 3-Benzoyloxycyclohexene
- Molecular formula
- C13H14O2
- Molecular weight
- 202.25
Names & synonyms
2-Cyclohexenyl benzoatecyclohex-2-en-1-yl benzoate3352-93-02-Cyclohexen-1-yl benzoate2-Cyclohexen-1-ol, benzoate2-cyclo-hexenyl benzoate2-Cyclohexen-1-yl benzoate #SCHEMBL11580874DTXSID70341058benzoic acid 1-cyclohex-2-enyl esterAKOS0243258573-Benzoyloxycyclohexene
Show more names
3-(Benzoyloxy)-1-cyclohexene2-Cyclohexen-1-ol, 1-benzoateBENZOIC ACID CYCLOHEX-2-ENYL ESTERBenzoic acid cyclohexene-3-yl esterBenzoic acid 2-cyclohexen-1-yl ester2-Cyclohexen-1-ol, 1-benzoate 2-Cyclohexen-1-ol, benzoate (6CI,7CI,8CI,9CI)
Database identifiers
- CAS
3352-93-0- PubChem CID
- 569650
- DTXSID
DTXSID70341058- EC Number
- 150-456-0
- Nikkaji
- J133.551K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
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, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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