Benzeneacetic acid,2,4,6-trimethoxy- supplier

Name
2,4,6-TRIMETHOXYPHENYLACETIC ACID
EINECS
CAS No. 104397-80-0
Article Data2
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point 182-185 °C
Formula C₁₁H₁₄O₅
Boiling Point 376.3 °C at 760 mmHg
Molecular Weight 226.229
Flash Point 145.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, (2,4,6-trimethoxyphenyl)- (6CI);2,4,6-Trimethoxyphenylacetic acid;(2,4,6-trimethoxyphenyl)acetic acid;
PSA 64.99000
LogP 1.33950

Benzeneacetic acid,2,4,6-trimethoxy- Specification

The Benzeneacetic acid,2,4,6-trimethoxy-, with the CAS registry number 104397-80-0, has the systematic name of (2,4,6-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,2,4,6-trimethoxy- are as following: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -2.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.05; (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: 145.1 °C; (20)Enthalpy of Vaporization: 65.81 kJ/mol; (21)Boiling Point: 376.3 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-06 mmHg at 25°C.

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, 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)cc(OC)cc1OC
(2)InChI: InChI=1/C11H14O5/c1-14-7-4-9(15-2)8(6-11(12)13)10(5-7)16-3/h4-5H,6H2,1-3H3,(H,12,13)
(3)InChIKey: XVJDJIVBWDQELV-UHFFFAOYAB

Product Name

2,4,6-TRIMETHOXYPHENYLACETIC ACID

Benzeneacetic acid,2,4,6-trimethoxy- Specification

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