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22480-91-7

Basic Information
CAS No.: 22480-91-7
Name: 2,3,4-TRIMETHOXYPHENYLACETIC ACID
Article Data: 7
Molecular Structure:
Molecular Structure of 22480-91-7 (2,3,4-TRIMETHOXYPHENYLACETIC ACID)
Formula: C11H14O5
Molecular Weight: 226.229
Synonyms: Aceticacid, (2,3,4-trimethoxyphenyl)- (7CI,8CI);2,3,4-Trimethoxybenzeneacetic acid;2,3,4-Trimethoxyphenylacetic acid;2-(2,3,4-Trimethoxyphenyl)acetic acid;(2,3,4-trimethoxyphenyl)acetic acid;(2,3,4-Trimethoxyphenyl)acetic acid;
EINECS: 245-024-4
Density: 1.197 g/cm3
Melting Point: 99 °C
Boiling Point: 349 °C at 760 mmHg
Flash Point: 132.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 64.99000
LogP: 1.33950
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Specification

The Benzeneacetic acid,2,3,4-trimethoxy-, with the CAS registry number 22480-91-7 and EINECS registry number 245-024-4, has the systematic name of (2,3,4-trimethoxyphenyl)acetic acid. And the molecular formula of this chemical is C11H14O5. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives.

The physical properties of Benzeneacetic acid,2,3,4-trimethoxy- are as following: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -2.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 57.4 cm3; (15)Molar Volume: 188.8 cm3; (16)Polarizability: 22.75×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 132.6 °C; (20)Enthalpy of Vaporization: 62.63 kJ/mol; (21)Boiling Point: 349 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-05 mmHg at 25°C.

Uses of Benzeneacetic acid,2,3,4-trimethoxy-: It can react with 3,4-dimethoxy-phenethylamine to produce N-3,4-dimethoxyphenylethyl-2,3,4-trimethoxyphenylacetamide. This reaction will need solvent xylene with heating. And the yield is about 96%.

Benzeneacetic acid,2,3,4-trimethoxy- can react with 3,4-dimethoxy-phenethylamine to produce N-3,4-dimethoxyphenylethyl-2,3,4-trimethoxyphenylacetamide

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and 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: O=C(O)Cc1c(OC)c(OC)c(OC)cc1
(2)InChI: InChI=1/C11H14O5/c1-14-8-5-4-7(6-9(12)13)10(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
(3)InChIKey: ZMWCKCLDAQWIDA-UHFFFAOYAN