1-(2,6-Dimethoxyphenyl)ethanone
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Basic information
- CAS
2040-04-2- Standard SMILES
COc1cccc(OC)c1C(C)=O- InChIKey
XEUGKOFTNAYMMX-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
2,6-Dimethoxyacetophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 1-(2,6-Dimethoxyphenyl)ethanone
- IUPAC
- 1-(2,6-dimethoxyphenyl)ethanone
- English name
- 2',6'-Dimethoxyacetophenone
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2040-04-21-(2,6-DIMETHOXYPHENYL)ETHANONEAcetophenone, 2',6'-dimethoxy-DTXSID10174347RefChem:1053858DTXCID7096838218-034-12',6'-Dimethoxyacetophenone2,6-DimethoxyacetophenoneEthanone, 1-(2,6-dimethoxyphenyl)-1-(2,6-Dimethoxyphenyl)ethan-1-oneMFCD00008729
Show more names
usafk-28012,6-Methoxy Acetophenone2’,6’-dimethoxy-acetophenon2,6-dimethoxybenzenethylone
USAF K-2801EINECS 218-034-1CHEBI:1674291-(2,6-Dimethoxyphenyl)ethanone #BS-3973SY0487234-08-00-01811 (Beilstein Handbook Reference)AB-131/40897142
Database identifiers
- CAS
2040-04-2- PubChem CID
- 16267
- DTXSID
DTXSID10174347- ChEMBL
CHEMBL3274358- ChEBI
CHEBI:167429- EC Number
- 218-034-1
- Nikkaji
- J55.025F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 68 · 68-70 °C(lit.)
- Boiling point
- 135 · 135-136 °C2 mm Hg(lit.)
- Density
- 1.1272 · 1.1272 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- Flash point
- 135 · 135-136°C/2mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- Crystalline Powder
- color
- White to beige
- λmax
- 265 nm · 265nm(H2O)(lit.)
- BRN
- 2048976 · 2048976
- InChI
- 1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
- InChIKey
- XEUGKOFTNAYMMX-UHFFFAOYSA-N
- SMILES
- COc1cccc(OC)c1C(C)=O
- CAS DataBase Reference
- 2040 · 2040-04-2(CAS DataBase Reference)
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- AM8400000
- hs_code
- 29145000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2′,6′-Dimethoxyacetophenone was used in preparation of 4-fluororesorcinol.
General Description2,6-Dihydroxyacetophenone, its mono- and di-methyl ethers are inhibitors of hepatic mixed function oxidases. Metabolism of 2′,6′-dimethoxyacetophenone was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2,6-Dimethoxyacetophenone is an aromatic ketone.
Related reactions
17 records
Compound notes
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