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9009-62-5

Product Name: PROPOLIS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description O-methoxyphenol appears as colorless to amber crystals or liquid. Density (of solid) 1.129 g / cm3. Solidifies at 28 °C (82.4 °F), but may remain liquid for a long time even at a much lower temperature. Slightly water soluble. Soluble in aqueous sodium hydroxide. Used medicinally as an expectorant. Used, because of its anti-oxidant properties, as an anti-skinning agent for paints.
Color/Form Faintly yellowish, limpid, oily liquid or yellow crystals
Odor Aromatic odor
Boiling Point 399 to 403 °F at 760 mmHg (NTP, 1992)
Melting Point SOLIDIFIES at 82.4 °F (NTP, 1992)
Flash Point 180 °F (NTP, 1992)
Solubility Slightly soluble (NTP, 1992)
Density 1.13 at 70.5 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 4.27 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 5 mmHg at 174 °F (NTP, 1992)
LogP log Kow = 1.32
Henry's Law Constant Henry's Law constant = 1.2X10-6 atm-cu m/mol at 25 °C
Stability/Shelf Life Darkens on exposure to air and light
Decomposition When heated to decomposition material emits acrid smoke and irritating fumes.
Ionization Efficiency Negative
Odor Threshold Odor threshold = 0.001-0.002 ppm (recognition)
Refractive Index Index of refraction: 1.5429 at 20 °C/D
Dissociation Constants pKa = 9.98
Kovats Retention Index 1059 1052 1057 1062 1080 1060.1 1068 1071 1080 1066.8 1059 1059 1072 1077 1095 1070 1071 1047 1075 1063 1063 1063 1090 1064 1057 1063 1063 1053 1058 1058 1083 1064 1057 1058 1053 1055 1056 1058 1071 1063 1066 1056 1066 1071 1057 1058 1056 1056 1058 1058 1071 1095 1070.3 1057 1057 1058 1059 1071 1057 1059 1077 1092
Other Experimental Properties Darkens on exposure to air and light. Solidifies at 28 °C but may remain liquid for a long time even at a much lower temperature.
Chemical Classes Biological Agents -> Plant Oils and Extracts

COMPUTED DESCRIPTORS

Molecular Weight 124.14 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 124.052429494 g/mol
Monoisotopic Mass 124.052429494 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 83
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

O-methoxyphenol appears as colorless to amber crystals or liquid. Density (of solid) 1.129 g / cm3. Solidifies at 28 °C (82.4 °F), but may remain liquid for a long time even at a much lower temperature. Slightly water soluble. Soluble in aqueous sodium hydroxide. Used medicinally as an expectorant. Used, because of its anti-oxidant properties, as an anti-skinning agent for paints.