Diisopropyl phthalate

• CAS: 605-45-8
• Catalog Number: ACM605458-1
• Category: Other Products
• Molecular Weight: 250.29
• Molecular Formula: C14H18O4
• Synonyms: Phthalic acid, diisopropyl ester
• IUPAC Name: Dipropan-2-yl benzene-1,2-dicarboxylate
• 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

Custom Q&A

What is the molecular formula of diisopropyl phthalate?

The molecular formula of diisopropyl phthalate is C14H18O4.

What is the molecular weight of diisopropyl phthalate?

The molecular weight of diisopropyl phthalate is 250.29 g/mol.

What are some synonyms for diisopropyl phthalate?

Some synonyms for diisopropyl phthalate include DIISOPROPYL PHTHALATE, Phthalic acid, diisopropyl ester, and DIISOPROPYLPHTHALATE.

What is the IUPAC name of diisopropyl phthalate?

The IUPAC name of diisopropyl phthalate is dipropan-2-yl benzene-1,2-dicarboxylate.

What is the InChIKey of diisopropyl phthalate?

The InChIKey of diisopropyl phthalate is QWDBCIAVABMJPP-UHFFFAOYSA-N.

What is the CAS number for diisopropyl phthalate?

The CAS number for diisopropyl phthalate is 605-45-8.

What is the XLogP3 value of diisopropyl phthalate?

The XLogP3 value of diisopropyl phthalate is 2.8.

How many hydrogen bond acceptors does diisopropyl phthalate have?

Diisopropyl phthalate has 4 hydrogen bond acceptors.

What is the topological polar surface area of diisopropyl phthalate?

The topological polar surface area of diisopropyl phthalate is 52.6 Ų.

How many defined atom stereocenters does diisopropyl phthalate have?

Diisopropyl phthalate has 0 defined atom stereocenters.