1-(3-(Phenylmethoxy)phenyl)ethan-1-one
Basic information
- CAS
34068-01-4- Standard SMILES
CC(=O)c1cccc(OCc2ccccc2)c1- InChIKey
FGQMEAWGAUALJQ-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 1-(3-(Phenylmethoxy)phenyl)ethan-1-one
- IUPAC
- 1-(3-phenylmethoxyphenyl)ethanone
- English name
- 3-Benzyloxy acetophenone
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
1-(3-(Phenylmethoxy)phenyl)ethan-1-one1-[3-(phenylmethoxy)phenyl]ethan-1-oneEthanone, 1-[3-(phenylmethoxy)phenyl]-EINECS 251-816-0Ethanone, 1-(3-(phenylmethoxy)phenyl)-AI3-25499DTXSID40187667NSC 159118RefChem:423177DTXCID00110158251-816-034068-01-4
Show more names
m-benzyloxyacetophenoneTerbutaline Impurity 25Terbutaline Impurity 57Paracetamol Impurity 253-Benzyloxyacetophenone,97%3'-Benzyloxyacetophenone >3''-BENZYLOXYACETOPHENONE 97%
1-(3-(benzyloxy)phenyl)ethanone3'-BENZYLOXYACETOPHENONE3-Benzyloxyacetophenone1-[3-(benzyloxy)phenyl]ethanone1-(3-phenylmethoxyphenyl)ethanone1-[3-(benzyloxy)phenyl]ethan-1-oneMFCD000262211-(3-benzyloxyphenyl)ethanone
Database identifiers
- CAS
34068-01-4- PubChem CID
- 98689
- DTXSID
DTXSID40187667- ChEMBL
CHEMBL3770608- EC Number
- 251-816-0
- Nikkaji
- J287.855K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 29 · 29-30 °C
- Boiling point
- 154 °C/0.3mmHg · 154°C/0.3mmHg(lit.)
- Density
- 1.0891 · 1.0891 (rough estimate)
- refractive index
- 1.653 · 1.6530 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Low Melting Solid
- color
- Light yellow
- λmax
- 305 nm · 305nm(MeOH)(lit.)
- CAS DataBase Reference
- 34068 · 34068-01-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- hs_code
- 29145000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
27 records
Compound notes
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