100-41-4
Product Name:
Ethylbenzene
Formula:
C8H10
Synonyms:
Ethylbenzene;NSC 406903;Phenylethane
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ethylbenzene appears as a clear colorless liquid with an aromatic odor. Flash point 59 °F. Less dense than water (at 7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent and to make other chemicals. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Aromatic odor |
| Boiling Point | 277.2 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -139 °F (NTP, 1992) |
| Flash Point | 59 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Density | 0.867 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 3.66 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 10 mmHg at 85.1 °F ; 5 mmHg at 57.0 °F; 760 mmHg at 277.2 °F (NTP, 1992) |
| LogP | log Kow = 3.15 |
| Henry's Law Constant | Henry's Law constant = 7.88X10-3 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 860 °F (USCG, 1999) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides. |
| Viscosity | 0.64 cP at 25 °C |
| Heat of Combustion | -17,780 BTU/lb = -9877 cal/g = -413.5X10+5 J/kg |
| Heat of Vaporization | 35.57 kJ/mol at 136.16 °C; 42.24 kJ/mol at 25 °C |
| Surface Tension | Liquid surface tension: 29.2 dynes/cm = 0.0292 N/m at 20 °C |
| Ionization Potential | 8.76 eV |
| Odor Threshold | Odor Threshold Low: 0.09 [mmHg] Odor Threshold High: 0.6 [mmHg] Odor threshold from AIHA |
| Refractive Index | Index of refraction: 1.4959 at 20 °C/D |
| Relative Evaporation Rate | It evaporates about 94 times more slowly than ether |
| Kovats Retention Index | 854 850.8 876 839.8 856 847 846 870.79 834 836.1 841.7 846.1 846.4 845 844.19 844.47 858 845 858 844.5 844.74 845 864 858 845.17 845.49 844.6 844.8 848.7 841.26 844.05 845.9 843 877 841.8 843.4 843.5 844.5 846.8 848.1 850.6 866.85 847.3 848.34 848.34 859.2 847 861 850 855.6 844 848 848 854.8 871.1 880 847.6 847.8 848.1 848.1 848.2 850 844 848 848 859 859 848 858.4 863.3 857.3 857 844.6 849.7 858 859 860 857 858 859 858 870 854 857 857 859 860 847.8 848.2 851.4 859 854 867 859 864 870 843 858.9 864.2 870.1 850 851 855 857 864 866 870 873 868 872 875 877 880 849.1 849.1 849.1 849.1 849.1 849.1 852 849 852 852 855 859 851 853 858 864 869 845 859 855 846 847.5 842.3 851 857.5 847.1 854.3 847 829 846 848 839.3 847.2 848 858 855 851.1 847.66 844.3 851 847 843.3 854 853 846 848 854 861 854 858 851 858 854 854 857 858 858 859 859 846 853.3 854 846 843 847 846 850 858 859 863 864 852 838 841 842 860 861 842 842 842 843 843 844 844 843 850 848 844 844 844 859.1 862.6 862.8 863.3 846 850 835 844 842 841 830 840 846 846 846 848 845 849 849 845 842 856 845.3 829.5 864 844.4 859 |
| Other Experimental Properties | Conversion factors: 1 mg/L is equivalent to 230 ppm, 1 ppm is equivalent to 4.35 mg/cu m at 25 °C, 760 mm |
| Chemical Classes | Solvents -> Aromatic Solvents |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H336:Specific target organ toxicity,single exposure; Narcotic effects H351:Carcinogenicity H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 106.16 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 106.078250319 g/mol |
| Monoisotopic Mass | 106.078250319 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 51.1 |
| 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
Ethylbenzene is a colorless, flammable liquid that smells like gasoline. It is found in natural products such as coal tar and petroleum and is also found in manufactured products such as inks, insecticides, and paints. Ethylbenzene is used primarily to make another chemical, styrene. Other uses include as a solvent, in fuels, and to make other chemicals.