Basic information
- CAS
5803-30-5- Standard SMILES
CCC(=O)c1cc(OC)ccc1OC- InChIKey
DKVCHMQHUMLKPO-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2,5-Dimethoxypropiophenone
- IUPAC
- 1-(2,5-dimethoxyphenyl)propan-1-one
- English name
- 2,5-Dimethoxypropiophenone
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
5803-30-51-(2,5-dimethoxyphenyl)propan-1-one2',5'-Dimethoxypropiophenone2,5-Dimethoxypropiophenone1-Propanone, 1-(2,5-dimethoxyphenyl)-1-(2,5-Dimethoxyphenyl)-1-propanoneBRN 1945185Propiophenone, 2',5'-dimethoxy-EINECS 227-357-7LK97F4859QDTXSID202067494-08-00-01839 (Beilstein Handbook Reference)
Show more names
2,5-DimethoxyMethoxamine Impurity 42’,5’-dimethoxy-propiophenon1-(2,5-Dimethoxyphenyl)propanone1-(2,5-dimethoxyphenyl)-1-propanon
RefChem:444473DTXCID001292401-Propanone, 1-(2,5-dimethoxyphenyl)-(9CI)227-357-71-(2-BUTAN-2-YLPHENOXY)-2-PROPANOL1-(2,5-Dimethoxy-phenyl)-propan-1-oneMFCD00027013Methoxamine Impurity 1
Database identifiers
- CAS
5803-30-5- PubChem CID
- 79865
- DTXSID
DTXSID20206749- UNII
- LK97F4859Q
- EC Number
- 227-357-7
- Nikkaji
- J51.111K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 8 °C · 8°C
- Boiling point
- 168 °C/13mmHg · 168°C/13mmHg(lit.)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- refractive index
- 1.534 to · 1.5340 to 1.5380
- form
- clear liquid
- color
- Light orange to Yellow to Green
- CAS DataBase Reference
- 5803 · 5803-30-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 97 F4859Q · LK97F4859Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RTECS
- 530000 · UH0530000
- HS Code
- 2914.39 · 2914.39.9000
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- rtecs
- UH0530000
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2'',5''-Dimethoxypropiophenone is a component of essential oils of some plants in the Asarum genus. It is also a useful building block and has been used in the preparation of methoxamine hydrochloride.
Preparation methods
PreparationObtained by acylation of hydroquinone dimethyl ether,with propionyl chloride in the presence of aluminium chloride in petroleum ether (34%), in carbon disulfide, or using 10% mol. samarium triiodide in acetonitrile (60%)with propionic anhydride in the presence of aluminium chloride in nitromethanewith propionic acid in the presence of PPA at 70° for 2 h (95%)in the presence of zeolite catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers35 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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