Basic information
- CAS
50789-44-1- Standard SMILES
CC(=O)OCc1cccc(Oc2ccccc2)c1- InChIKey
XPHQNMNGUGOWGU-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.09429431
Names & identifiers
- Preferred name
- Benzenemethanol, 3-phenoxy-, 1-acetate
- IUPAC
- (3-phenoxyphenyl)methyl acetate
- English name
- m-phenoxybenzyl acetate
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
50789-44-1Benzenemethanol, 3-phenoxy-, acetateBenzenemethanol, 3-phenoxy-, 1-acetateEINECS 256-765-8alpha-Hydroxy-3-phenoxytoluene, acetateDTXSID50885920RefChem:563492DTXCID101025276m-Phenoxybenzyl acetate3-phenoxybenzyl acetate(3-phenoxyphenyl)methyl acetateSCHEMBL2966035
Show more names
3-Phenoxybenzyl=acetate3-PHENOXYBENZENEMETHANOL,ACETATE
NS00058310
Database identifiers
- CAS
50789-44-1- PubChem CID
- 170904
- DTXSID
DTXSID50885920- EC Number
- 256-765-8
- Nikkaji
- J60.233G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 338.8 · 338.8±25.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Benzenemethanol, 3-phenoxy-, acetate (50789-44-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, 3-phenoxy-, 1-acetate: ACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
21 records
Compound notes
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