Basic information
- CAS
13720-58-6- Standard SMILES
COc1cc(C(C)=O)c(OC)cc1C- InChIKey
SVRFSXJNHLDZGD-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2',5'-Dimethoxy-4'-methylacetophenone
- IUPAC
- 1-(2,5-dimethoxy-4-methylphenyl)ethanone
- English name
- Ethanone, 1-(2,5-dimethoxy-4-methylphenyl)-
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2',5'-Dimethoxy-4'-methylacetophenoneRefChem:439468661-332-513720-58-61-(2,5-dimethoxy-4-methylphenyl)ethanone1-(2,5-Dimethoxy-4-methylphenyl)ethan-1-oneEthanone, 1-(2,5-dimethoxy-4-methylphenyl)-SCHEMBL7685964DTXSID10392064SVRFSXJNHLDZGD-UHFFFAOYSA-NMFCD00156672AKOS006273325
Show more names
2,5-Dimethoxy-4-methylacetophenone
H85297
Database identifiers
- CAS
13720-58-6- PubChem CID
- 3390948
- DTXSID
DTXSID10392064- EC Number
- 661-332-5
- Nikkaji
- J58.403G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 76 °C · 76°C
- Boiling point
- 296.8 · 296.8±35.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Preparation methods
PreparationObtained by action of dimethyl sulfate with 2,5-dihydroxy-4-methylacetophenone in the presence of potassium carbonate in refluxing acetone for 7 h (50%).
Suppliers4 total
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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