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| CAS No.: | 14737-91-8 |
|---|---|
| Name: | CIS-2-METHOXYCINNAMIC ACID |
| Article Data: | 29 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H10 O3 |
| Molecular Weight: | 178.188 |
| Synonyms: | 2-Propenoicacid, 3-(2-methoxyphenyl)-, (Z)-; Cinnamic acid, o-methoxy-, (Z)- (8CI);Cinnamic acid, o-methoxy-, cis- (4CI); cis-2-Methoxycinnamic acid |
| Density: | 1.195g/cm3 |
| Melting Point: |
94-96 °C(lit.) |
| Boiling Point: | 325.1°Cat760mmHg |
| Flash Point: | 130.3°C |
| Hazard Symbols: |
|
| Risk Codes: | 22-36/37/38 |
| Safety: | Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 46.53000 |
| LogP: | 1.79300 |
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Chemistry
IUPAC Name: (Z)-3-(2-Methoxyphenyl)prop-2-enoic acid
Following is the structure of cis-2-Methoxycinnamic acid (CAS NO.14737-91-8):
Empirical Formula: C10H10O3
Molecular Weight: 178.1846 g/mol
EINECS: 238-803-5
Density: 1.195 g/cm3
Flash Point: 130.3 °C
Index of Refraction: 1.591
Melting point: 94-96 °C(lit.)
Surface Tension: 46.2 dyne/cm
Enthalpy of Vaporization: 59.87 kJ/mol
Boiling Point: 325.1 °C at 760 mmHg
Vapour Pressure of cis-2-Methoxycinnamic acid (CAS NO.14737-91-8): 9.64E-05 mmHg at 25 °C
Product Categories of cis-2-Methoxycinnamic acid (CAS NO.14737-91-8): Carbonyl Compounds; Carboxylic Acids
Canonical SMILES: COC1=CC=CC=C1C=CC(=O)O
Isomeric SMILES: COC1=CC=CC=C1/C=C\C(=O)O
InChI: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6-
InChIKey: FEGVSPGUHMGGBO-SREVYHEPSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:1750 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 119 (1959),443. | ||
| 2. | ipr-mus LD50:1500 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 119 (1959),443. | ||
| 3. | scu-mus LD50:1100 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 119 (1959),443. |
Safety Profile
Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition, cis-2-Methoxycinnamic acid (CAS NO.14737-91-8) emits acrid smoke and irritating fumes.
Hazard Codes: 
Xn
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: GD9720000
Specification
cis-2-Methoxycinnamic acid , its cas register number is 14737-91-8. It also can be called (Z)-3-(2-Methoxyphenyl)-2-propenoic acid ; Acide ortho-methoxycinnamique ; cis-o-Methoxycinnamic acid ; and Cinnamic acid, o-methoxy-, (Z)- . Its classification code is Drug / Therapeutic Agent.