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(3,4-Dimethoxyphenyl)acetic acid
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Name

(3,4-Dimethoxyphenyl)acetic acid

 EINECS 202-244-5
CAS No. 93-40-3 Density 1.189 g/cm3
PSA 55.76000 LogP 1.33090
Solubility Soluble in water Melting Point 96-98 °C(lit.)
Formula C10H12O4 Boiling Point 331.4 °C at 760 mmHg
Molecular Weight 196.203 Flash Point 130.2 °C
Transport Information N/A Appearance white to beige powder
Safety 22-24/25-36/37-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 93-40-3 ((3,4-Dimethoxyphenyl)acetic acid) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Aceticacid, (3,4-dimethoxyphenyl)- (6CI,7CI,8CI);Homoveratric acid;2-(3,4-Dimethoxyphenyl)acetate;2-(3,4-Dimethoxyphenyl)acetic acid;3,4-Dimethoxybenzeneacetic acid;NSC 2753;NSC 27897;3,4-Dimethoxyphenyl)Acetic Acid;(3,4-Dimethoxyphenyl)aceticacid;3,4-Dimethoxyphenylacetic acid;3,4-dimethoxyphenyl acetic acid;

Article Data 66

(3,4-Dimethoxyphenyl)acetic acid Consensus Reports

Reported in EPA TSCA Inventory.

(3,4-Dimethoxyphenyl)acetic acid Specification

1. Introduction of (3,4-Dimethoxyphenyl)acetic acid
(3,4-Dimethoxyphenyl)acetic acid is a kind of intermediates of verapamil. It is white crystal.

2. Properties of (3,4-Dimethoxyphenyl)acetic acid
Melting point: 96-98 °C 
Index of Refraction: 1.527
Molar Refractivity: 50.72 cm3
Molar Volume: 164.8 cm3
Surface Tension: 41.7 dyne/cm
Flash Point: 130.2 °C
Enthalpy of Vaporization: 60.6 kJ/mol
Boiling Point: 331.4 °C at 760 mmHg
Vapour Pressure: 6.23E-05 mmHg at 25°C

3. Structure Descriptors of (3,4-Dimethoxyphenyl)acetic acid
InChI: InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,
(H,11,12)InChIKey: WUAXWQRULBZETB-UHFFFAOYSA-NCanonical SMILES : COC1=C(C=C(C=C1)CC(=O)O)OC

4. Toxicity of (3,4-Dimethoxyphenyl)acetic acid

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04366,

5. Safety Information of (3,4-Dimethoxyphenyl)acetic acid

Hazard Codes:Xn,Xi
Risk Statements:36/37/38-22
36/37/38:Irritating to eyes, respiratory system and skin
22:Harmful if swallowed   
Safety Statements:22-24/25-36/37-26
22:Do not breathe dust 
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice   
WGK Germany:3
RTECS:AH0675000
Hazard Note:Irritant
HS Code:29189090
Poison by intravenous route. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

6. Use of (3,4-Dimethoxyphenyl)acetic acid
(3,4-Dimethoxyphenyl)acetic acid is an intermediate for the synthesis of papaverine, Verapamil, Bevantolol.

7. First Aid Measures of (3,4-Dimethoxyphenyl)acetic acid
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Storage of (3,4-Dimethoxyphenyl)acetic acid: Store in a cool, dry, well-ventilated area away from incompatible substances.

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