Benzoic acid,2-(acetyloxy)-, 2-methoxyphenyl ester supplier

Name
guacetisal
EINECS 259-663-1
CAS No. 55482-89-8
Article Data6
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 71-73 °C(Solv: ethanol (64-17-5))
Formula C₁₆H₁₄O₅
Boiling Point 463.8 °C at 760 mmHg
Molecular Weight 286.284
Flash Point 207.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-MethoxyphenylO-acetylsalicylate;Acetylsalicylic acid guaiacol ester;Broncaspin;Guacetisal;Guacetisalum;Guaiaspir;O-Methoxyphenyl salicylate acetate;2-Methoxyphenyl 2-(acetyloxy)benzoate;2-Acetyloxybenzenecarboxylic acid 2-methoxyphenyl ester;
PSA 61.83000
LogP 2.83970

Benzoic acid,2-(acetyloxy)-, 2-methoxyphenyl ester Specification

The Benzoic acid,2-(acetyloxy)-, 2-methoxyphenyl ester, with the CAS registry number 55482-89-8, is also known as Acetylsalicylic acid guaiacol ester. Its EINECS number is 259-663-1. This chemical's molecular formula is C₁₆H₁₄O₅ and molecular weight is 286.28. What's more, its systematic name is 2-Methoxyphenyl 2-(acetyloxy)benzoate. Its classification codes are: Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory agents, non-steroidal;Antirheumatic Agents; Antitussive agents; Central Nervous SystemAgents; Expectorants; Peripheral Nervous System Agents; Respiratory System Agents; Sensory System Agents.

Physical properties of Benzoic acid,2-(acetyloxy)-, 2-methoxyphenyl ester are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 79.71; (6)ACD/BCF (pH 7.4): 79.71; (7)ACD/KOC (pH 5.5): 799.33; (8)ACD/KOC (pH 7.4): 799.33; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 75.91 cm³; (15)Molar Volume: 234.4 cm³; (16)Polarizability: 30.09×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 207.2 °C; (20)Enthalpy of Vaporization: 72.51 kJ/mol; (21)Boiling Point: 463.8 °C at 760 mmHg; (22)Vapour Pressure: 8.84E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2OC
(2)InChI: InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3
(3)InChIKey: HSJFYRYGGKLQBT-UHFFFAOYSA-N

Product Name

guacetisal

Benzoic acid,2-(acetyloxy)-, 2-methoxyphenyl ester Specification

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