ChemicalBook--->CAS DataBase List--->53012-41-2

53012-41-2

53012-41-2 Structure

53012-41-2 Structure
IdentificationBack Directory
[Name]

1-(2,6-DIMETHYLPHENOXY)ACETONE
[CAS]

53012-41-2
[Synonyms]

Einecs 258-292-2
Mexiletine Ketone
Mexiletine impurity B
Mexiletine EP Impurity B
1-(2,5-DIMETHYLPHENOXY)ACETONE
1-(2,6-DIMETHYLPHENOXY)ACETONE
1-(2,,6,-Dimethoxy)-2-Propanone
1-(2,6-Dimethylphenoxy)-2-propanone
1-(2,6-Dimethylphenoxy)propan-2-one
2-Propanone, 1-(2,6-diMethylphenoxy)-
Mexiletine Hydrochloride EP Impurity B
Mexiletine Hydrochloride Impurity 2(Mexiletine Hydrochloride EP Impurity B)
[EINECS(EC#)]

258-292-2
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00130266
[MOL File]

53012-41-2.mol
[Molecular Weight]

178.23
Chemical PropertiesBack Directory
[Boiling point ]

113°C/4mmHg(lit.)
[density ]

1.011±0.06 g/cm3(Predicted)
[refractive index ]

1.5060 to 1.5100
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless to Orange
[InChI]

InChI=1S/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
[InChIKey]

XDJULAUHYAJQBU-UHFFFAOYSA-N
[SMILES]

C(OC1=C(C)C=CC=C1C)C(=O)C
[LogP]

2.3 at 20℃
[CAS DataBase Reference]

53012-41-2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propylene oxide-->Sodium dichromate dihydrate-->2,6-Dimethylphenol-->Benzene, 1,3-dimethyl-2-(2-propen-1-yloxy)--->Benzene, 1,3-dimethyl-2-(2-propyn-1-yloxy)--->Phenol, 2,6-dimethyl-, sodium salt (1:1)-->Mexiletine hydrochloride-->S-(+)-Mexiletine-->Chloroacetone-->Bromoacetone
[Preparation Products]

1-(2,6-Dimethylphenoxy)-2-propanamine
Safety DataBack Directory
[HS Code ]

2914.69.9000
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

Yellow Oil
[Uses]

Mexiletine (M340800) metabolite.
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