526-75-0
Product Name:
2,3-dimethylphenol
Formula:
C8H10O
Synonyms:
3-Hydroxyl-o-xylene;vic.-o-Xylenol
Inquiry
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 |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
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)