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Cas Database |
| Name |
4-Acetoxy-3-methoxybenzoic acid |
EINECS | 234-122-2 |
| CAS No. | 10543-12-1 | Density | 1.285 g/cm3 |
| PSA | 72.83000 | LogP | 1.31870 |
| Solubility | N/A | Melting Point |
149 °C |
| Formula | C10H10O5 | Boiling Point | 327.95 °C at 760 mmHg |
| Molecular Weight | 210.186 | Flash Point | 128.065 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Vanillicacid, acetate (6CI,7CI,8CI);3-Methoxy-4-acetoxybenzoic acid;4-Acetoxy-3-methoxybenzoic acid;4-Carboxy-2-methoxyphenol acetate;NSC 408845;O-Acetylvanillic acid; |
Article Data | 32 |
4-Acetoxy-3-methoxybenzoic acid Chemical Properties
Molecular Structure of 4-Acetoxy-3-methoxybenzoic acid (CAS No.10543-12-1):
Molecular Formula: C10H10O5
Molecular Weight: 210.1834
CAS No: 10543-12-1
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 61.83 Å2
Index of Refraction: 1.538
Molar Refractivity: 51.2 cm3
Molar Volume: 163.5 cm3
Surface Tension: 46.6 dyne/cm
Density: 1.284 g/cm3
Flash Point: 128.1 °C
Enthalpy of Vaporization: 60.2 kJ/mol
Boiling Point: 328 °C at 760 mmHg
Vapour Pressure: 7.91E-05 mmHg at 25°C
InChI: InChI=1/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)
InChIKey: WTPDKEAYVAXNRO-UHFFFAOYAQ
Std. InChI: InChI=1S/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)
Std. InChIKey: WTPDKEAYVAXNRO-UHFFFAOYSA-N
IUPAC Name: 4-Acetyloxy-3-methoxybenzoic acid
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides Salts
4-Acetoxy-3-methoxybenzoic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 800mg/kg (800mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976. Link to PubMed |
4-Acetoxy-3-methoxybenzoic acid Safety Profile
HazardClass: IRRITANT
4-Acetoxy-3-methoxybenzoic acid Specification
4-Acetoxy-3-methoxybenzoic acid (CAS No.10543-12-1), its synonyms are 4-(acetyloxy)-3-methoxybenzoic acid ; Benzoic acid, 4-(acetyloxy)-3-methoxy- ; 3-Methoxy-4-acetoxybenzoic acid ; 4-Acetoxy-meta-anisic acid ; O-Acetylvanillic acid .
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