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CAS No.: | 10543-12-1 |
---|---|
Name: | 4-Acetoxy-3-methoxybenzoic acid |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C10H10O5 |
Molecular Weight: | 210.186 |
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; |
EINECS: | 234-122-2 |
Density: | 1.285 g/cm3 |
Melting Point: | 149 °C |
Boiling Point: | 327.95 °C at 760 mmHg |
Flash Point: | 128.065 °C |
PSA: | 72.83000 |
LogP: | 1.31870 |
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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
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 |
HazardClass: IRRITANT
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 .