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| CAS No.: | 90-53-9 |
|---|---|
| Name: | 2,3-DIMETHOXYPHENYLACETIC ACID |
| Molecular Structure: | |
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| Formula: | C10H12O4 |
| Molecular Weight: | 196.203 |
| Synonyms: | Aceticacid, (2,3-dimethoxyphenyl)- (6CI,8CI);2-(2,3-Dimethoxyphenyl)acetic acid;NSC 12232;o-Homoveratric acid; |
| Density: | 1.189 g/cm3 |
| Melting Point: | 82-84 °C |
| Boiling Point: | 318.2 °C at 760 mmHg |
| Flash Point: | 123.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.76000 |
| LogP: | 1.33090 |
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Specification
The Benzeneacetic acid,2,3-dimethoxy-, with CAS registry number 90-53-9, has the systematic name of (2,3-dimethoxyphenyl)acetic acid. And its IUPAC name is 2-(2,3-dimethoxyphenyl)acetic acid. And the chemical formula of this chemical is C10H12O4.
Physical properties of Benzeneacetic acid,2,3-dimethoxy-: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.24; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.74; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 50.72 cm3; (15)Molar Volume: 164.8 cm3; (16)Polarizability: 20.1×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Enthalpy of Vaporization: 59.08 kJ/mol; (19)Vapour Pressure: 0.000154 mmHg at 25°C.
Preparation: this chemical can be prepared by (2,3-dimethoxy-phenyl)-acetonitrile. This reaction will need reagent aq.-ethanolic KOH-solution.
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Uses of Benzeneacetic acid,2,3-dimethoxy-: it can be used to produce (2,3-dimethoxy-phenyl)-acetyl chloride. This reaction will need reagent thionyl chloride.
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When you are using this chemical, please be cautious about it as the following:
The Benzeneacetic acid,2,3-dimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1cccc(OC)c1OC
(2)InChI: InChI=1/C10H12O4/c1-13-8-5-3-4-7(6-9(11)12)10(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: UZULEJNWMHZSGY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12O4/c1-13-8-5-3-4-7(6-9(11)12)10(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
(5)Std. InChIKey: UZULEJNWMHZSGY-UHFFFAOYSA-N