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CAS No.: | 93-40-3 |
---|---|
Name: | (3,4-Dimethoxyphenyl)acetic acid |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
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; |
EINECS: | 202-244-5 |
Density: | 1.189 g/cm3 |
Melting Point: | 96-98 °C(lit.) |
Boiling Point: | 331.4 °C at 760 mmHg |
Flash Point: | 130.2 °C |
Solubility: | Soluble in water |
Appearance: | white to beige powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 22-24/25-36/37-26 |
PSA: | 55.76000 |
LogP: | 1.33090 |
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Reported in EPA TSCA Inventory.
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, |
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.