3-Phenyloxolane-3-carboxylic acid
Basic information
- CAS
914365-77-8- Standard SMILES
O=C(O)C1(c2ccccc2)CCOC1- InChIKey
QJPWHDBOZHKOQE-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 3-Phenyloxolane-3-carboxylic acid
- IUPAC
- 3-phenyloxolane-3-carboxylic acid
- English name
- 3-Furancarboxylic acid, tetrahydro-3-phenyl-
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
3-phenyloxolane-3-carboxylic acid914365-77-8RefChem:504962855-303-83-Phenyltetrahydrofuran-3-carboxylic acidMFCD20657440SCHEMBL238866183-phenyloxolane-3-carboxylicacidPLB36577SY389570H59882EN300-1153913
Show more names
Tetrahydro-3-phenyl-3-furancarboxylic acid3-Furancarboxylic acid, tetrahydro-3-phenyl-
Database identifiers
- CAS
914365-77-8- PubChem CID
- 83671053
- EC Number
- 855-303-8
- Nikkaji
- J2.357.834D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 358.9 · 358.9±42.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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