108-68-9
Product Name:
3,5-Dimethylphenol
Formula:
C8H10O
Synonyms:
5-Hydroxy-m-xylene;sym.-m-Xylenol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 3,5-dimethylphenol is a colorless to off-white crystalline solid. Odor threshold 1 ppm. Taste threshold 0.001 mg/L. (NTP, 1992) |
|---|---|
| Color/Form | Needles from water |
| Boiling Point | 427.1 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 147 °F (NTP, 1992) |
| Flash Point | [HSDB] 80 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 0.968 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 4.2 |
| Vapor Pressure | 1 mmHg at 143.6 °F ; 5 mmHg at 192.6 °F; 10 mmHg at 216.3 °F (NTP, 1992) |
| LogP | log Kow= 2.35 |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| Viscosity | 2.42 mN.s.m-2 at 80 °C |
| Heat of Vaporization | 13,767.7 g cal/g mole |
| Odor Threshold | Odor threshold = 4.10E-5 mg/m3 (detection in air) |
| Refractive Index | Index of refraction: 1.5150 @ 70 °C |
| Dissociation Constants | pKa= 10.19 at 25 °C |
| Kovats Retention Index | 1143.4 1143 1146 1139 1139 1179 1163 1124 1147 1141 1143 1144 1145 1163 1139 |
| Other Experimental Properties | Sublimes above 219 °C |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. 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 | 2.4 |
| 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 | 80.6 |
| 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
3,5-dimethylphenol is a colorless to off-white crystalline solid. Odor threshold 1 ppm. Taste threshold 0.001 mg/L. (NTP, 1992)