Basic information
- CAS
36707-28-5- Standard SMILES
O=C(Cc1ccccc1)OCc1ccco1- InChIKey
RQIJJMRWUPHQGB-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- Furfuryl phenylacetate
- IUPAC
- furan-2-ylmethyl 2-phenylacetate
- English name
- furfuryl phenylacetate
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
Furfuryl phenylacetate36707-28-57U97CB9DKABenzeneacetic acid, 2-furanylmethyl esterNSC-9188EINECS 253-164-2DTXSID50190167NSC 91882-FURANYLMETHYL BENZENEACETATERefChem:141807DTXCID60112658253-164-2
Show more names
Benzeneacetic acid furfuryl ester
furan-2-ylmethyl 2-phenylacetateNSC9188UNII-7U97CB9DKASCHEMBL11026060(Furan-2-yl)methyl phenylacetateRQIJJMRWUPHQGB-UHFFFAOYSA-NNS00030081
Database identifiers
- CAS
36707-28-5- PubChem CID
- 94935
- DTXSID
DTXSID50190167- UNII
- 7U97CB9DKA
- EC Number
- 253-164-2
- Nikkaji
- J332.339K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 309.9 · 309.9±22.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- Odor
- honey
- LogP
- 2.573 · 2.573 (est)
- FDA UNII
- 7 U97CB9DKA · 7U97CB9DKA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzeneacetic acid, 2-furanylmethyl ester
Chemistry & industry
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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