Benzene is an organic chemical compound with the chemical formula C6H6. The benzene molecule consists of six carbon atoms that are connected to one another in a ring and to each of which a hydrogen atom is bound. Since benzene only contains carbon and hydrogen atoms, it is classified as a hydrocarbon.
Benzene is a natural component of crude oil and is one of the most important petrochemicals. At the same time, it is the simplest representative and model substance of the aromatic hydrocarbons.
The fully deuterated form is benzene-d6.
Other names, synonyms
Cyclohexatrien; Benzole; Benzen; Phenyl hydride; [6]Annulene; Phenane; 1,3,5-Cyclohexa-1,3,5-triene; Phene
Latin name
Benzinum
Molecular formula and structural formula of Benzene:
C6H6
Mr = 78.114 g/mol
SMILES: C1=CC=CC=C1
Benzene is a clear, colorless, highly flammable and volatile aromatic hydrocarbon that is liquid at room temperature and has a characteristic odor.
The corresponding calculated vapor pressure values at a given temperature are:
| Temperature | Vapor pressure [mmHg] | Vapor pressure [kPa] |
|---|---|---|
| -40 °C | 1.72 | 0.23 |
| -30 °C | 3.76 | 0.50 |
| -20 °C | 7.66 | 1.02 |
| -10 °C | 14.65 | 1.95 |
| 0 °C | 26.50 | 3.53 |
| 10 °C | 45.62 | 6.08 |
| 20 °C | 75.20 | 10.03 |
| 30 °C | 119.22 | 15.89 |
| 40 °C | 182.56 | 24.34 |
| 50 °C | 271.00 | 36.13 |
| 60 °C | 391.20 | 52.15 |
| 70 °C | 550.67 | 73.42 |
| 80 °C | 757.74 | 101.02 |
| 90 °C | 1021.48 | 136.19 |
| 100 °C | 1351.63 | 180.20 |
| 110 °C | 1758.52 | 234.45 |
| 120 °C | 2253.02 | 300.38 |
| 130 °C | 2846.48 | 379.50 |
| 140 °C | 3550.68 | 473.38 |
| 150 °C | 4377.84 | 583.66 |
| 160 °C | 5340.57 | 712.02 |
| 170 °C | 6451.94 | 860.19 |
| 180 °C | 7725.47 | 1029.97 |
| 190 °C | 9175.20 | 1223.26 |
| 200 °C | 10815.81 | 1441.99 |
| 210 °C | 12662.64 | 1688.21 |
| 220 °C | 14731.88 | 1964.08 |
| 230 °C | 17040.63 | 2271.89 |
| 240 °C | 19607.13 | 2614.06 |
| 250 °C | 22450.86 | 2993.19 |
The dynamic and kinematic viscosity of liquid benzene at a given temperature in millipascals times second (= cP. Centipoise) and in centistokes respectively:
| Temperature | Dynamic Viskosität | Kinematik Viskosität |
|---|---|---|
| 10 °C | 0.7709 mPa ⋅ s | 0.870 cSt |
| 15 °C | 0.7128 mPa ⋅ s | 0.806 cSt |
| 20 °C | 0.6603 mPa ⋅ s | 0.751 cSt |
| 25 °C | 0.6128 mPa ⋅ s | 0.702 cSt |
| 30 °C | 0.5698 mPa ⋅ s | 0.656 cSt |
| 35 °C | 0.5309 mPa ⋅ s | 0.615 cSt |
| 40 °C | 0.4955 mPa ⋅ s | 0.578 cSt |
| 45 °C | 0.4634 mPa ⋅ s | 0.544 cSt |
| 50 °C | 0.4341 mPa ⋅ s | 0.513 cSt |
| 55 °C | 0.4073 mPa ⋅ s | 0.484 cSt |
| 60 °C | 0.3829 mPa ⋅ s | 0.458 cSt |
| 65 °C | 0.3604 mPa ⋅ s | 0.434 cSt |
| 70 °C | 0.3398 mPa ⋅ s | 0.412 cSt |
| 75 °C | 0.3209 mPa ⋅ s | 0.392 cSt |
| 80 °C | 0.3033 mPa ⋅ s | 0.373 cSt |
Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.
Mass-related elemental composition and isotope proportions of the compound Benzene - C6H6 - calculated based on molecular mass.
*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.
The molar mass is M = 78.114 grams per mole.
The amount of substance in one kilogram of the substance is n = 12.802 mol.
The amount of substance in one gram of the substance is n = 0.013 mol.
Monoisotopic mass: 78.0469501932 Da - related to 12C61H6.
(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.
Signal word: Danger
GHS hazard statements (H phrases):
Benzene forms highly flammable vapor-air mixtures with an explosion range between 1.2% by volume (39 g/m3) and 8.6% by volume (280 g/m3). The chemical should be stored at 15 to 25 °C.
LD50 (rat, oral): 930 mg/kg.
Labeling in the EU: See ECHA Substance Infocard 100.000.685.
WHO IARC group 1: Carcinogenic to humans See there under monograph 29, Sup 7. 100F, 120, (2018).
For toxicology and occupational safety when handling Benzene as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 010060.
International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0015.
Benzene as a commercial product from internationally active suppliers and search for analogues see: ZINC000000967532.
The table below lists producers and suppliers of Benzene as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.
[0] - Specialist and research articles in scientific journals via PubMed: Benzene.
[1] - Michael Faraday:
On new compounds of carbon and hydrogen, and on certain other products obtained during the decomposition of oil by heat.
In: Philosophical Transactions of the Royal Society, (1825), DOI 10.1098/rstl.1825.0022.
Last update: 2024-08-30
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