Diprop-2-Enyl Benzene-1,2-Dicarboxylate
[CAS# 143318-73-4]

Identification

• Name: Diprop-2-Enyl Benzene-1,2-Dicarboxylate
• Synonyms: Diallyl Benzene-1,2-Dicarboxylate; Benzene-1,2-Dicarboxylic Acid Diallyl Ester; 4-09-00-03188 (Beilstein Handbook Reference)
• Molecular Formula: C₁₄H₁₄O₄
• Molecular Weight: 246.26
• CAS Registry Number: 143318-73-4
• SMILES: C1=CC(=C(C=C1)C(OCC=C)=O)C(OCC=C)=O
• InChI: 1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
• InChIKey: QUDWYFHPNIMBFC-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: -70°C (Expl.)
• Boiling point: 160-163°C (Expl.)
• Flash point: 164.8±20.7°C (Cal.)
• Refractive index: 1.519 (Expl.)

Safety Data

• Safety Code: S24/25;S60;S61
• Risk Code: R22;R50/53
• Hazard Symbol: X;N
• Transport Information: UN3082
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493