2-Phenoxyethyl formate
Basic information
- CAS
58214-97-4- Standard SMILES
O=COCCOc1ccccc1- InChIKey
BRKHBMRNJGJJDV-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 2-Phenoxyethyl formate
- IUPAC
- 2-phenoxyethyl formate
- English name
- Ethanol, 2-phenoxy-, formate
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
2-Phenoxyethyl formateNSC404475SCHEMBL1231287SCHEMBL5144004DTXSID10886256BRKHBMRNJGJJDV-UHFFFAOYSA-NNSC-404475LS-13617Ethanol, 2-phenoxy-, formateEthanol, 2-phenoxy-, 1-formate
Database identifiers
- CAS
58214-97-4- PubChem CID
- 346281
- DTXSID
DTXSID10886256- Nikkaji
- J1.580.059C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 262 · 262.0±23.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. balsamic powdery cinnamyl sweet storax cinnamon
- Odor Type
- balsamic
- LogP
- 1.616 · 1.616 (est)
- EPA Substance Registry System
- 2 · Ethanol, 2-phenoxy-, formate (58214-97-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
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Related reactions
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Compound notes
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