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10543-12-1

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Basic Information
CAS No.: 10543-12-1
Name: 4-Acetoxy-3-methoxybenzoic acid
Article Data: 32
Molecular Structure:
Molecular Structure of 10543-12-1 (4-Acetoxy-3-methoxybenzoic acid)
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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Chemistry

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

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

Safety Profile

HazardClass: IRRITANT

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 .