Ethylbenzene Standard , Analysis standard , 100-41-4
Synonym(s):
Ethylbenzene;NSC 406903;Phenylethane
CAS NO.：100-41-4
Empirical Formula: C8H10
Molecular Weight: 106.17
MDL number: MFCD00011647
EINECS: 200-467-2
PRODUCT Properties
| Melting point: | −95 °C(lit.) |
| Boiling point: | 136 °C(lit.) |
| Density | 0.867 g/mL at 25 °C(lit.) |
| vapor density | 3.7 (vs air) |
| vapor pressure | 28.69 psi ( 55 °C) |
| refractive index | n |
| Flash point: | 72 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.2g/l |
| form | Liquid |
| color | Colorless |
| Relative polarity | 0.117 |
| Odor | Aromatic. |
| Odor Threshold | 0.17ppm |
| explosive limit | 1.0-7.8%(V) |
| Water Solubility | 0.0206 g/100 mL |
| Thermal Conductivity | 0.1278 W/(m·K) at 25 ℃ |
| FreezingPoint | -95℃ |
| Merck | 14,3765 |
| BRN | 1901871 |
| Henry's Law Constant | 13.9(x 10-3 atmm3/mol) at 45.00 °C, 15.1 at 50.00 °C, 17.1 at 55.00 °C, 20.1 at 60.00 °C, 20.9 at 65.00 °C, 22.7 at
70.00 °C, 34.3 at 80.00 °C (static headspace-GC, Park et al., 2004) |
| Exposure limits | ACGIH:TLV-TWA 20 ppm OSHA:PEL-TWA 100 ppm (435 mg/m3) NIOSH:REL-TWA 100 ppm; REL-STEL 125 ppm |
| Dielectric constant | 2.5（20℃） |
| Stability: | Stable. Incompatible with oxidizing agents. Flammable. |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
| SMILES | CCc1ccccc1 |
| LogP | 3.03-3.6 at 20℃ |
| Surface tension | 28.79mN/m at 298.15K |
| CAS DataBase Reference | 100-41-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Ethylbenzene(100-41-4) |
| IARC | 2B (Vol. 77) 2000 |
| EPA Substance Registry System | Ethylbenzene (100-41-4) |
Description and Uses
Ethylbenzene is a colorless liquid with a pungent aromaticodor. The odor threshold is 0.092- 0.60 ppm.Molecular weight = 106.18; Specific gravity (H2O:1) =0.87; Boiling point = 136℃; Freezing/Meltingpoint = - 95℃; Vapor pressure = 7% mmHg at 20℃;Flash point = 12.8℃; Autoignition temperature = 432℃.Explosive limits: LEL = 0.8%; UEL = 6.7%. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 3, Reactivity 0. Practically insolublein water; solubility = 0.7%.
Primarily used in the production of styrene; also used as an industrial solvent, as a constituent of asphalt and naptha, and as an antiknock agent in aviation and motor fuels
Safety
| Symbol(GHS) |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H332-H303-H320-H360-H371-H373-H351-H335-H304-H411-H225 |
| Precautionary statements | P501-P273-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P337+P313-P305+P351+P338-P308+P311-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 |
| target organs | Central nervous system, Liver,Kidney |
| Hazard Codes | F+,Xn,Xi,F,T |
| Risk Statements | 63-11-20/22-36/38-40-48/20-65-20-48/20/22-38-22-39/23/24/25-23/24/25-2017/11/20 |
| Safety Statements | 9-16-29-33-24/25-36/37-36-45-36/37/39-26-23-53-7-24-62 |
| RIDADR | UN 1175 |
| OEB | A |
| OEL | TWA: 100 ppm (435 mg/m3), STEL: 125 ppm (545 mg/m3) |
| WGK Germany | 1 |
| RTECS | KI5775000 |
| F | 10 |
| Autoignition Temperature | 810 °F |
| TSCA | TSCA listed |
| HS Code | 2902 60 00 |
| HazardClass | 3 |
| PackingGroup | II |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Inhalation Acute Tox. 4 Oral Carc. 2 Eye Irrit. 2 Repr. 2 Skin Irrit. 2 STOT RE 1 Oral STOT SE 3 |
| Hazardous Substances Data | 100-41-4(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 5.46 g/kg (Smyth) |
| IDLA | 800 ppm [10% LEL] |
| REACH Registrations | Active |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |