2,2'-{2-[(2-Ethylhexyl)Oxy]-5-Methoxy-1,4-Phenylene}Diacetonitrile
[CAS# 213749-91-8]

Identification

• Name: 2,2'-{2-[(2-Ethylhexyl)Oxy]-5-Methoxy-1,4-Phenylene}Diacetonitrile
• Synonyms: [4-Cyanomethyl-2-(2-ethylhexyloxy)-5-methoxy-phenyl]-acetonitrile; 2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile; 2-METHOXY-5- BENZENE-1&
• Molecular Formula: C₁₉H₂₆N₂O₂
• Molecular Weight: 314.42
• CAS Registry Number: 213749-91-8
• SMILES: CCCCC(CC)COC1=CC(=C(C=C1CC#N)OC)CC#N
• InChI: 1S/C19H26N2O2/c1-4-6-7-15(5-2)14-23-19-13-16(8-10-20)18(22-3)12-17(19)9-11-21/h12-13,15H,4-9,14H2,1-3H3
• InChIKey: YGAQISIJKKIHRN-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 470.1±40.0°C at 760 mmHg (Cal.)
• Flash point: 173.3±20.2°C (Cal.)
• Refractive index: 1.507 (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R20/21/22;R36/37/38
• Hazard Symbol: X
• Transport Information: UN3439
• Safety Description: DANGER: POISON, causes cyanosis; skin, eye, lung irritation