CAS No.3637-01-2,3',4'-Dimethylacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3637-01-2
Name:	3',4'-Dimethylacetophenone
Article Data:	77

Formula:	C₁₀H₁₂O
Molecular Weight:	148.205
Synonyms:	Acetophenone,3',4'-dimethyl- (6CI,7CI,8CI);1-(3,4-Dimethylphenyl)ethanone;3,4-Dimethylacetophenone;3',4'-Dimethylacetophenone;Methyl 3,4-dimethylphenylketone;
EINECS:	222-859-2
Density:	0.965 g/cm³
Melting Point:	-1.5°C
Boiling Point:	246.5 °C at 760 mmHg
Flash Point:	102.8 °C
Appearance:	clear colourless to light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	36-20/22
Safety:	26-39
PSA:	17.07000
LogP:	2.50600

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Specification

This chemical is called 3',4'-Dimethylacetophenone, and its systematic name is 1-(3,4-dimethylphenyl)ethanone. With the molecular formula of C₁₀H₁₂O, its molecular weight is 148.20. The CAS registry number of this chemical is 3637-01-2, and its product categories are Aromatic Acetophenones & Derivatives (substituted); Adehydes, Acetals & Ketones; C10; Carbonyl Compounds; Ketones. In additon, this chemical is clear colourless to light yellow liquid, and it should be stored sealed in the dry place.

Other characteristics of the 3',4'-Dimethylacetophenone can be summarised as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å²; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 45.93 cm³; (11)Molar Volume: 153.5 cm³; (12)Polarizability: 18.2×10^-24cm³; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 0.965 g/cm³; (15)Flash Point: 102.8 °C; (16)Enthalpy of Vaporization: 48.36 kJ/mol; (17)Boiling Point: 246.5 °C at 760 mmHg; (18)Vapour Pressure: 0.027 mmHg at 25°C.

Production method of this chemical: The 3',4'-Dimethylacetophenone could be obtained by the reactants of 2-oxo-propionic acid and 1,2-dimethyl-benzene. This reaction needs the reagent of P₂O₅-MsOH. The yield is 68 %. In addition, this reaction should be taken 8 for hours at the ambient temperature.

Uses of this chemical: The 3',4'-Dimethylacetophenone could react with 3,4-dimethyl-benzoic acid ethyl ester, and obtain the 1,3-bis-(3,4-dimethyl-phenyl)-propane-1,3-dione. This reaction needs the reagent of NaH, and the solvent of benzene. The yield is 62 %. In additon, this reaction should be taken for 6 hours.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation and if swallowed. It is irritating to eyes. You should wear eye / face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1C)C(C)=O
2.InChI: InChI=1/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
3.InChIKey: WPRAXAOJIODQJR-UHFFFAOYAW