2-Methoxy-1-phenylethanone
Basic information
- CAS
4079-52-1- Standard SMILES
COCC(=O)c1ccccc1- InChIKey
YRNDGUSDBCARGC-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Overview
2-methoxyacetophenone is an alpha-oxyketone and an aromatic ketone. It is functionally related to an acetophenone.
Names & identifiers
- Preferred name
- 2-Methoxy-1-phenylethanone
- IUPAC
- 2-methoxy-1-phenylethanone
- English name
- 2-Methoxyacetophenone
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
2-Methoxyacetophenone4079-52-12-methoxy-1-phenylethanone2-methoxy-1-phenylethan-1-onealpha-MethoxyacetophenoneEthanone, 2-methoxy-1-phenyl-AI3-07623Y4V7A57H8FNSC-354NSC-227212CHEBI:52400DTXSID90193778
Show more names
1-METHOXYACETOPHENONEALPHA-METHOXY ACETOPHENONE(Methoxymethyl)phenyl ketone
RefChem:1063560DTXCID30116269223-802-4methoxyacetophenoneAcetophenone, 2-methoxy-MFCD000084992-methoxy-1-phenyl-ethanone2-methoxy acetophenone
Database identifiers
- CAS
4079-52-1- PubChem CID
- 77698
- DTXSID
DTXSID90193778- ChEBI
CHEBI:52400- UNII
- Y4V7A57H8F
- EC Number
- 223-802-4
- Nikkaji
- J149.907F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 7 · 7-8 °C (lit.)
- Boiling point
- 122 · 122-123 °C/18 mmHg (lit.)
- Density
- 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5365(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- liquid
- Specific Gravity
- 1.09 · 1.090
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChIKey
- YRNDGUSDBCARGC-UHFFFAOYSA-N
- SMILES
- COCC(=O)c1ccccc1
- CAS DataBase Reference
- 4079 · 4079-52-1(CAS DataBase Reference)
- FDA UNII
- 4 V7A57H8F · Y4V7A57H8F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methoxy-1-phenylethan-1-one is used as a reactant in the preparation of diarylpyrazoles as cyclooxygenase 2 inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2-methoxyacetophenone is an alpha-oxyketone and an aromatic ketone. It is functionally related to an acetophenone.
Related reactions
43 records
Compound notes
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