Basic information
- CAS
61129-28-0- Standard SMILES
O=C1OCCC1Cc1ccccc1- InChIKey
FWTJDTQXENOXPC-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 3-Benzyloxolan-2-one
- IUPAC
- 3-benzyloxolan-2-one
Names & synonyms
3-benzyloxolan-2-oneRefChem:498044102-086-661129-28-02(3H)-Furanone, dihydro-3-(phenylmethyl)-2-Benzyl-butyrolactonebenzylbutyrolactone2-benzyl-gamma-butyrolactonealpha-benzyl-gamma-butyrolactoneSCHEMBL3685687DTXSID603402323-Benzyldihydro-2(3H)-furanone #
Show more names
EN300-316038
Database identifiers
- CAS
61129-28-0- PubChem CID
- 562758
- DTXSID
DTXSID60340232- EC Number
- 102-086-6
- Nikkaji
- J483.873D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
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]
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, P403+P233, P405, 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
7 records
Compound notes
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