Basic information
- CAS
7652-98-4- Standard SMILES
COc1cc(C)c(CC(C)=O)cc1OC- InChIKey
XMBXCPLCSDATAP-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 1-(4,5-Dimethoxy-2-methylphenyl)propan-2-one
- IUPAC
- 1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
- English name
- 1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25364
Names & synonyms
1-(4,5-dimethoxy-2-methylphenyl)propan-2-one7652-98-42-Propanone, 1-(4,5-dimethoxy-2-methylphenyl)-Methyldopa Impurity 10HAA65298EN300-196204
Database identifiers
- CAS
7652-98-4- PubChem CID
- 82492471
- EC Number
- 155-780-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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