Furfuryl benzoate
Basic information
- CAS
34171-46-5- Standard SMILES
O=C(OCc1ccco1)c1ccccc1- InChIKey
OYUZXJBNSJHTRF-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- Furfuryl benzoate
- IUPAC
- furan-2-ylmethyl benzoate
- English name
- 2-Furylmethyl benzoate
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
Furfuryl benzoate34171-46-5DTXSID30290518RefChem:345856DTXCID10241664OYUZXJBNSJHTRF-UHFFFAOYSA-Nfuran-2-ylmethyl benzoate2-Furylmethyl benzoate(furan-2-yl)methyl benzoate2-Furylmethyl benzoate #NCIOpen2_003442SCHEMBL1640414
Show more names
2-Furanmethanol, 2-benzoate
NSC69095NSC-69095SBB009977AKOS003440428ST060253Q65225406
Database identifiers
- CAS
34171-46-5- PubChem CID
- 250093
- DTXSID
DTXSID30290518- Nikkaji
- J3.498.940K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 117 · 117-119 °C1.5 mm Hg(lit.)
- Density
- 1.177 g/mL · 1.177 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 230 °F · >230 °F
- LogP
- 2.958 · 2.958 (est)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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