CAS No.829-20-9,2,4-Dimethoxyacetophenone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	829-20-9
Name:	2,4-Dimethoxyacetophenone
Article Data:	99

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	Acetophenone,2,4-dimethoxy- (3CI);Acetophenone, 2',4'-dimethoxy- (6CI,7CI,8CI);1-(2,4-Dimethoxyphenyl)ethanone;NSC 46645;
EINECS:	212-587-2
Density:	1.066 g/cm³
Melting Point:	37-40 °C(lit.)
Boiling Point:	288 °C at 760 mmHg
Flash Point:	127.1 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	35.53000
LogP:	1.90640

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Specification

The Ethanone,1-(2,4-dimethoxyphenyl)-, with CAS registry number 829-20-9, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Acetophenone series. It has the systematic name of 1-(2,4-dimethoxyphenyl)ethanone. This chemical is a kind of white to off-white crystalline powder. When use this chemical, please avoid contact with skin and eyes.

Physical properties of Ethanone,1-(2,4-dimethoxyphenyl)-: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.62; (6)ACD/BCF (pH 7.4): 14.62; (7)ACD/KOC (pH 5.5): 237.46; (8)ACD/KOC (pH 7.4): 237.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 49.63 cm³; (15)Molar Volume: 168.9 cm³; (16)Polarizability: 19.67×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Enthalpy of Vaporization: 52.72 kJ/mol; (19)Vapour Pressure: 0.0024 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dimethoxy-benzene and acetyl chloride. This reaction will need reagent AlCl₃.

Uses of Ethanone,1-(2,4-dimethoxyphenyl)-: it can be used to produce 1-ethyl-2,4-dimethoxy-benzene. This reaction will need reagents aqueous HCl, toluene, amalgamated zinc.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1OC)C
(2)InChI: InChI=1/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3
(3)InChIKey: VQTDPCRSXHFMOL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3
(5)Std. InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

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