Basic information
- CAS
14046-55-0- Standard SMILES
COc1ccc(C(=O)C(C)C)cc1OC- InChIKey
FGVRUUHJVIWSEN-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Overview
See also: 1-(3,4-Dimetossifenil)-2-metilpropanone (annotation moved to).
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)-2-methyl-1-propanone
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
- English name
- (3,4-Dimethoxyphenyl)isopropyl ketone
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
1-(3,4-dimethoxyphenyl)-2-methyl-1-propanoneRefChem:42284814046-55-01-(3,4-dimethoxyphenyl)-2-methylpropan-1-one3,4-Dimethoxyphenyl isopropyl ketoneVerapamil EP Impurity L3',4'-DimethoxyisobutyrophenoneVerapamil Impurity L1-Propanone, 1-(3,4-dimethoxyphenyl)-2-methyl-(3,4-Dimethoxyphenyl)isopropyl ketoneMFCD01718113ISOBUTYROPHENONE, 3',4'-DIMETHOXY-
Show more names
verapamil impurities8791-(3,4-Dimethoxyphenyl)-2-methylproVerapamil Hydrochloride EP Impurity L
NSC638443',4'-Dimethoxy-2-methylpropiophenoneC5161AF8BXNSC-63844NSC 63844BRN 3263789UNII-C5161AF8BX1-(3,4-Dimethoxyphenyl)-2-methylpropan-1-one; Verapamil Hydrochloride Imp. L (EP); Verapamil Imp. L (EP); Verapamil Hydrochloride Impurity L; Verapamil Impurity L
Database identifiers
- CAS
14046-55-0- PubChem CID
- 26422
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 213
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 165 · 165-170℃ (10 Torr)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5161 AF8BX · C5161AF8BX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1-(3,4-Dimethoxyphenyl)-2-methyl-1-propanone (Verapamil EP Impurity L) is a compound being considered as an inhibitor of melanogenesis. It may reduce growth or pigment production in melanocyte cells.
Preparation methods
PreparationPreparation by acylation of veratrole, with isobutyryl chloride in the presence of aluminium chloride (85%) with isobutyric acid in the presence of PPA at 60° for 2.5 h with isobutyric anhydride in acetonitrile in the presence of TiCl(OTf)3 /TfOH at r.t. for 12 h (89%).
Suppliers37 total
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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