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CAS No.: | 6496-89-5 |
---|---|
Name: | 2,4-Dimethoxyphenylacetic acid |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
Synonyms: | Aceticacid, (2,4-dimethoxyphenyl)- (6CI,7CI,8CI);(2,4-Dimethoxyphenyl)acetic acid;2,4-Dimethoxybenzeneacetic acid;2-(2,4-Dimethoxyphenyl)acetic acid;NSC 512596;2,4-Dimethoxyphenylacetic acid; |
EINECS: | -0 |
Density: | 1.189 g/cm3 |
Melting Point: | 110-113 ºC |
Boiling Point: | 339.7 °C at 760 mmHg |
Flash Point: | 134.1 °C |
Appearance: | Crystalline Solid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36-36/37 |
PSA: | 55.76000 |
LogP: | 1.33090 |
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The Benzeneacetic acid,2,4-dimethoxy-, with the CAS registry number 6496-89-5, is also known as 2,4-Dimethoxyphenylacetic acid. It belongs to the product categories of Miscellaneous; Aromatics Compounds; Aromatics; C10; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C10H12O4 and formula weight is 196.20. What's more, its IUPAC name is 2-(2,4-dimethoxyphenyl)acetic acid.
Physical properties of Benzeneacetic acid,2,4-dimethoxy- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.41; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 44.76 Å2; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 50.72 cm3; (13)Molar Volume: 164.8 cm3; (14)Surface Tension: 41.7 dyne/cm; (15)Density: 1.189 g/cm3; (16)Flash Point: 134.1 °C; (17)Enthalpy of Vaporization: 61.55 kJ/mol; (18)Boiling Point: 339.7 °C at 760 mmHg; (19)Vapour Pressure: 3.5E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by methyl 2,6-dimethoxyphenyl acetate by heating. This reaction will need reagent NaOH and solvent ethanol with the reaction time of 8 hours. It's a kind of hydrolysis. The yield is about 78%.
Uses of Benzeneacetic acid,2,4-dimethoxy-: it can be used to produce cis-a-2,4-dimethoxyphenyl-3,5-dimethoxycinnamic acid. It will need reagent Ac2O and Et3N with the reaction time of 23 hours. The reaction temperature is 120-130°C. It's a kind of condensation. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)CC(=O)O)OC
(2)InChI: InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
(3)InChIKey: ZFXFMGARFHRTTO-UHFFFAOYSA-N