2-Ethyltoluene , 99% , 611-14-3

Synonym(s):
2-Ethyltoluene

CAS NO.：611-14-3

Empirical Formula: C9H12

Molecular Weight: 120.19

MDL number: MFCD00009257

EINECS: 210-255-1

PRODUCT Properties

• Melting point: −17 °C(lit.)
• Boiling point: 164-165 °C(lit.)
• Density: 0.887 g/mL at 25 °C(lit.)
• vapor pressure: 2.8 hPa (20 °C)
• refractive index: n20/D 1.505(lit.)
• Flash point: 103 °F
• storage temp.: Store below +30°C.
• solubility: 74.6mg/l (experimental)
• form: clear liquid
• color: Colorless
• Odor Threshold: 0.074ppm
• Water Solubility: Soluble in water (74.6 mg/L (25°C)).
• BRN: 1851237
• Henry's Law Constant: 1.8×10^-3 mol/(m³Pa) at 25℃, Plyasunov and Shock (2000)
• Dielectric constant: 2.2（24℃）
• InChI: 1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
• InChIKey: HYFLWBNQFMXCPA-UHFFFAOYSA-N
• SMILES: CCc1ccccc1C
• CAS DataBase Reference: 611-14-3(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-ethyl-2-methyl-(611-14-3)
• EPA Substance Registry System: o-Ethyltoluene (611-14-3)

Description and Uses

2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.

Safety

• Symbol(GHS): GHS02,GHS08
• Signal word: Danger
• Hazard statements: H226-H304
• Precautionary statements: P210-P233-P240-P241-P301+P310-P331
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: Xn
• Risk Statements: 10-65
• Safety Statements: 62
• RIDADR: UN 3295 3/PG 3
• WGK Germany: 3
• RTECS: XT2500000
• Autoignition Temperature: 824 °F
• TSCA: TSCA listed
• HS Code: 2902 90 00
• HazardClass: 3
• PackingGroup: III
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Asp. Tox. 1; Flam. Liq. 3
• Toxicity: LD50 orally in Rabbit: 5000 mg/kg
• Limited Quantities: 5.0 L (1.3 gallons) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)