Diisopropyl phthalate

• Catalog Number: ACM605458-1
• Product Name: Diisopropyl phthalate
• CAS: 605-45-8
• Category: Heterocyclic Organic Compound
• Synonyms: Phthalic acid, diisopropyl ester
• IUPAC Name: Dipropan-2-yl benzene-1,2-dicarboxylate
• Molecular Weight: 250.29
• Molecular Formula: C14H18O4
• Canonical SMILES: CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
• InChI: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
• InChI Key: QWDBCIAVABMJPP-UHFFFAOYSA-N
• Boiling Point: 313.42 °C
• Melting Point: 20 °C
• Density: 1.063 g/mL
• Solubility: 0.00 M
• Complexity: 266
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 210-086-3
• Exact Mass: 250.12050905
• Formal Charge: 0
• Hazard Statements: Xn
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 2.83 (LogP)
• Monoisotopic Mass: 250.12050905
• NSC Number: 15315
• Physical State: Liquid
• Rotatable Bond Count: 6
• Safety Description: 26-36/37
• Supplemental Hazard Statements: H315-H319-H335-H351
• Symbol: GHS07,GHS08
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: BFC138Q4PX
• XLogP3: 2.8