CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2,3-dimethylphenol appears as colorless crystalline solid or brown chunky solid. Taste threshold concentration 0.03 mg/L. Odor threshold concentration 0.5 mg/L. (NTP, 1992) |
|---|---|
| Color/Form | Needles from water or dilute alcohol |
| Taste | 0.03 mg/l (taste threshold concn) |
| Boiling Point | 424 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 167 °F (NTP, 1992) |
| Flash Point | 61-95 °C c.c. |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Density | 1.02-1.13 g/cm³ |
| Vapor Density | Relative vapor density (air = 1): 4.2 |
| Vapor Pressure | 1 mmHg at 132.8 °F ; 5 mmHg at 182.8 °F; 10 mmHg at 207.7 °F (NTP, 1992) |
| LogP | 2.48 |
| Autoignition Temperature | 599 °C |
| Decomposition | When heated to decomp, it emits acrid smoke and irritating fumes. |
| Heat of Vaporization | 13,106.8 g cal/g mole |
| Odor Threshold | 0.5 mg/l (detection in water) |
| Refractive Index | Index of refraction: 1.5420 at 20 °C |
| Dissociation Constants | pKa= 10.54 at 25 °C |
| Kovats Retention Index | 1151 1150 1159 1159 1159 1160 1143 1143 1169 1132 1153 1151 1166 1158 1132 1169 1147 1169 198.65 198.95 |
| Other Experimental Properties | Heat of fusion: 41.13 cal/g= 172.09 J/g= 21,024 J/mol |
| Chemical Classes | Other Classes -> Phenols |
COMPUTED DESCRIPTORS
| Molecular Weight | 122.16 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.073164938 g/mol |
| Monoisotopic Mass | 122.073164938 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 90.6 |
| 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
2,3-dimethylphenol appears as colorless crystalline solid or brown chunky solid. Taste threshold concentration 0.03 mg/L. Odor threshold concentration 0.5 mg/L. (NTP, 1992)