CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Hawley] |
|---|---|
| Color/Form | Liquid |
| Boiling Point | 169.1 °C |
| Melting Point | -57.8 °C |
| Flash Point | 140 °F (60 °C) OPEN CUP |
| Solubility | Miscible with alc, ether, benzene |
| Density | 0.8669 @ 20 °C/4 °C |
| Vapor Density | 4.62 (Air= 1) |
| Vapor Pressure | 2.2 [mmHg] |
| LogP | log Kow= 4.11 |
| Autoignition Temperature | 842 °F (450 °C) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Refractive Index | Index of refraction: 1.49235 @ 20 °C/D |
| Kovats Retention Index | 981 988 972.4 979.3 979.1 978 972.82 976.53 978.96 976 983.22 975 975 986.9 992.5 980.9 986 987 1008 1010 982 986 986 987 988 974.9 975.4 980 1008 1001 988 994 976 1000.9 987.6 993.5 975.4 977 984 984 1001 988 988 994 986.3 984 975 980 988.6 973 986 991 994 971 975 975 980 986.4 991.7 991.9 993.8 1008 961 985 1000 994 |
| Other Experimental Properties | Odorous /monobutylbenzenes/ |
| Chemical Classes | Solvents -> Aromatic Solvents |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 134.22 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 134.109550447 g/mol |
| Monoisotopic Mass | 134.109550447 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 91.1 |
| 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
tert-Butylbenzene is a natural product found in Chrysanthemum indicum and Gossypium hirsutum with data available.