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3,4,5-Trimethoxyphenylacetic acid

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Name

3,4,5-Trimethoxyphenylacetic acid

EINECS 213-456-2
CAS No. 951-82-6 Density 1.197 g/cm3
PSA 64.99000 LogP 1.33950
Solubility SOLUBLE Melting Point 117-120 ºC
Formula C11H14O5 Boiling Point 360.8 °C at 760 mmHg
Molecular Weight 226.229 Flash Point 138.1 °C
Transport Information N/A Appearance off-white to white crystal powder
Safety 22-24/25 Risk Codes 38
Molecular Structure Molecular Structure of 951-82-6 (3,4,5-Trimethoxyphenylacetic acid) Hazard Symbols
Synonyms

Aceticacid, (3,4,5-trimethoxyphenyl)- (6CI,7CI,8CI);2-(3,4,5-Trimethoxyphenyl)aceticacid;3,4,5-Trimethoxybenzeneacetic acid;

Article Data 27

3,4,5-Trimethoxyphenylacetic acid Chemical Properties

The molecular structure of 3,4,5-Trimethoxyphenylacetic acid (CAS NO.951-82-6):

IUPAC Name: 2-(3,4,5-Trimethoxyphenyl)acetic acid 
Molecular Weight: 226.22586 g/mol
Molecular Formula: C11H14O5 
Density: 1.197 g/cm3 
Melting Point: 117-120 °C(lit.)
Boiling Point: 360.8 °C at 760 mmHg 
Flash Point: 138.1 °C
Index of Refraction: 1.519
Molar Refractivity: 57.4 cm3
Molar Volume: 188.8 cm3
Surface Tension: 40.2 dyne/cm 
Enthalpy of Vaporization: 64.01 kJ/mol
Vapour Pressure: 7.75E-06 mmHg at 25 °C 
Water Solubility: soluble
XLogP3: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 226.084124
MonoIsotopic Mass: 226.084124
Topological Polar Surface Area: 65
Heavy Atom Count: 16
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O
InChI: InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKey: DDSJXCGGOXKGSJ-UHFFFAOYSA-N
EINECS: 213-456-2
Product Categories: Aromatic Phenylacetic Acids and Derivatives; Biochemics; C11 to C12; Carbonyl Compounds; Carboxylic Acids

3,4,5-Trimethoxyphenylacetic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 38 
R38:Irritating to skin.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29189090

3,4,5-Trimethoxyphenylacetic acid Specification

 3,4,5-Trimethoxyphenylacetic acid (CAS NO.951-82-6) is also named as benzeneacetic acid, 3,4,5-trimethoxy- ; (3,4,5-Trimethoxy-phenyl)-acetic acid ; 3,4,5-Trimethoxyphenylacetic acid 98% ; acetic acid, 3,4,5-trimethoxyphenyl- ; Benzeneacetic acid, 3,4,5-trimethoxy- (9CI) . 3,4,5-Trimethoxyphenylacetic acid (CAS NO.951-82-6) is white to cream-colored crystalline powder.

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