8.14505

1,2,4-Trimethylbenzene

for synthesis

• Synonym(s): 1,2,4-Trimethylbenzene, Pseudocumol
• Empirical Formula (Hill Notation): C₉H₁₂
• CAS Number: 95-63-6
• Molecular Weight: 120.19
• UNSPSC Code: 12352005
• EC Index Number: 202-436-9
• NACRES: NA.22
• MDL number: MFCD00008527
• Assay: ≥98.0% (GC)
• Form: liquid

Properties

• vapor pressure: 2.8 hPa ( 25 °C)
• Quality Level: 200
• assay: ≥98.0% (GC)
• form: liquid
• autoignition temp.: 485 °C
• potency: 5000 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 0.8-7 % (v/v)
• bp: 168 °C/1013 hPa
• mp: -44 °C
• transition temp: flash point 48 °C
• solubility: 0.057 g/L
• density: 0.88 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: Cc1c(ccc(c1)C)C
• InChI: 1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
• InChI key: GWHJZXXIDMPWGX-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.874 - 0.876
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS07,GHS08,GHS09
• signalword: Danger
• hcodes: H226 - H304 - H315 - H319 - H332 - H335 - H411
• pcodes: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P312 - P331
• Hazard Classifications: Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 118.4 °F - closed cup
• flash_point_c: 48.0 °C - closed cup