95-48-7
Product Name:
o-Cresol
Formula:
C7H8O
Synonyms:
o-Cresol;o-Cresol solution;2-Hydroxytoluene, 2-Methylphenol;2-Methylphenol;o-Cresol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | O-cresol appears as colorless or yellow to brown-yellow or pinkish colored liquid with a phenol-like odor. Toxic by ingestion and/or skin absorption. May have a flash point between 100 and 199 °F. Causes burns to skin, eyes and mucous membranes. Insoluble in water. |
|---|---|
| Color/Form | Crystals in liquid becoming dark with age and exposure to light and air |
| Odor | Phenolic odor |
| Boiling Point | 376 °F at 760 mmHg (EPA, 1998) |
| Melting Point | 88 °F (EPA, 1998) |
| Flash Point | 177.8 to 181.4 °F (EPA, 1998) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 1.047 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Density | 3.72 (EPA, 1998) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at 100.76 °F (EPA, 1998) |
| LogP | log Kow = 1.95 |
| Henry's Law Constant | Henry's Law constant = 1.2X10-6 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 1110 °F (USCG, 1999) |
| Viscosity | 3.035 cP at 50 °C; 1.562 cP at 75 °C; 0.961 cP at 100 °C |
| Heat of Combustion | -3696 kJ/mol at 25 °C |
| Heat of Vaporization | 45.19 kJ/mol at 191.04 °C |
| Surface Tension | 36.90 mN/m at 25 °C; 34.38 mN/m at 50 °C |
| Ionization Potential | 8.93 eV |
| Odor Threshold | Odor Threshold Low: 0.26 [mmHg] Odor Threshold High: 0.65 [mmHg] Odor threshold low (detection) and high (recognition) from CHRIS |
| Refractive Index | Index of refraction: 1.553 at 20 °C/D |
| Dissociation Constants | pKa = 10.287 |
| Kovats Retention Index | 1031.1 1029.7 1032 1042 1044 1029 1039 1027 1032 1032 1032 1014.3 1017.6 1007 1008 1029 1030 1040 1048 1035 1078 1034 1034 1037 1030 1033 1023.6 1030 1027 1038 1039.1 1030 1036 1035.2 1035 1024 1026.3 1024 1035 1058 172.86 173.57 |
| Other Experimental Properties | 0.0323% in saturated air at 25 °C |
| 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 | 108.14 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 108.057514874 g/mol |
| Monoisotopic Mass | 108.057514874 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 70.8 |
| 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-cresol appears as colorless or yellow to brown-yellow or pinkish colored liquid with a phenol-like odor. Toxic by ingestion and/or skin absorption. May have a flash point between 100 and 199 °F. Causes burns to skin, eyes and mucous membranes. Insoluble in water.