Completing data — usually done within a minute
Basic information
- CAS
5396-18-9- Standard SMILES
COc1ccc(C(C)=O)c(O)c1OC- InChIKey
BCEPNLMYVYJIHU-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.202 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one
- IUPAC
- 1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one
- English name
- 2'-HYDROXY-3',4'-DIMETHOXYACETOPHENONE
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
AKOS 212-803,4-Methoxy-2-Hydroxyacetophenone3,4-DIMETHOXY-2-HYDROXYACETOPHENONEGALLACETOPHENONE-3,4-DIMETHYL ETHER2-HYDROXY-3,4-DIMETHOXYACETOPHENONE2-HYDROXY-3,4'-DIMETHOXYACETOPHENONEGALLACETOPHENONE 3',4'-DIMETHYL ETHERGallacetophenone 3’，4’-Dimethyl Ether2'-HYDROXY-3',4'-DIMETHOXYACETOPHENONE3',4'-Dimethoxy-2'-hydroxyacetophenone
Database identifiers
- CAS
5396-18-9- PubChem CID
- 219639
- DTXSID
DTXSID40277214- EC Number
- 680-108-8
- Nikkaji
- J414.232B
Properties
Physicochemical properties
- Melting point
- 75 · 75-77°C
- Boiling point
- 308.1 · 308.1±37.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Methanol
- pka
- 9.79 · 9.79±0.15(Predicted)
- form
- powder
- color
- Off-White
- InChI
- InChI=1S/C10H12O4/c1-6(11)7-4-5-8(13-2)10(14-3)9(7)12/h4-5,12H,1-3H3
- InChIKey
- BCEPNLMYVYJIHU-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(OC)C(OC)=C1O)C
- CAS DataBase Reference
- 5396 · 5396-18-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HS Code
- 29145090 · 29145090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesGallacetophenone 3’,4’-Dimethyl ether is a phenolic compound with potential 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging activity.
Preparation methods
PreparationPreparation by reaction of acetyl chloride on pyrogallol trimethyl ether,with aluminium chloride in carbon disulfide, in boiling ethyl ether (77%) or in benzene at 45–50° (77%) with mercuric chloride without solvent at 100° (40%).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers55 total
上海康恩博医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…