Diisooctyl phthalate

• Catalog Number: ACM27554263-1
• Product Name: Diisooctyl phthalate
• CAS: 27554-26-3
• Category: Polymer/Macromolecule
• Description: Di-isooctyl phthalate is an oily colorless liquid with a slight ester odor. Denser than water. Insoluble in water. (USCG, 1999);Liquid;COLOURLESS VISCOUS LIQUID.
• Synonyms: Isooctyl phthalate
• IUPAC Name: Bis(6-methylheptyl) benzene-1,2-dicarboxylate
• Molecular Weight: 390.6
• Molecular Formula: C24H38O4
• Canonical SMILES: CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
• InChI: InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
• InChI Key: IJFPVINAQGWBRJ-UHFFFAOYSA-N
• Boiling Point: 435.74 °C
• Melting Point: -4°C
• Flash Point: >230 °F
• Density: 0.983 g/mL
• Solubility: 2.30e-07 M;... compatible with vinyl chloride resins and some cellulosic resins;In water, 9.0X10-2 mg/L at 25 °C;Solubility in water: none
• Alpha Sort: Diisooctyl phthalate
• Autoignition Temperature: 393 °C
• Color/Form: Nearly colorless, viscous liquid
• Complexity: 390
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp it emits acrid smoke and irritating fumes.
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 248-523-5
• Exact Mass: 390.27700969
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 28
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• ICSC Number: 0876
• Isotope Atom Count: 0
• LogP: log Kow = 8.39 (est);3-4 (estimated)
• Monoisotopic Mass: 390.27700969
• Odor: Mild odor
• Other Experimental: Bulk density: Wt/gal = 8.20 lb at 20 °C;Phthalate esters are soluble to various extents in many common organic solvents and oils. /Phthalate esters/;/VAPOR PRESSURE IS/ 1.0 MM HG @ 200 °C;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;Henry's Law constant = 3.14X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.06X10-11 cu cm/molec-sec at 25 °C (est)
• Physical State: Liquid
• Rotatable Bond Count: 16
• RTECS Number: TI1300000
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: 6A121LGB40
• Vapor Density: 13.5 (Air = 1);Relative vapor density (air = 1): 13.5
• Vapor Pressure: 5.5X10-6 mm Hg at 25 °C;Vapor pressure at 20 °C: negligible
• Viscosity: 83 cP at 20 °C
• XLogP3: 8.5

Custom Q&A

What is the molecular formula of diisooctyl phthalate?

The molecular formula of diisooctyl phthalate is C24H38O4.

What is the molecular weight of diisooctyl phthalate?

The molecular weight of diisooctyl phthalate is 390.6 g/mol.

Is diisooctyl phthalate soluble in water?

No, diisooctyl phthalate is insoluble in water.

What is the IUPAC name of diisooctyl phthalate?

The IUPAC name of diisooctyl phthalate is bis(6-methylheptyl) benzene-1,2-dicarboxylate.

What is the InChIKey of diisooctyl phthalate?

The InChIKey of diisooctyl phthalate is IJFPVINAQGWBRJ-UHFFFAOYSA-N.

What is the CAS number of diisooctyl phthalate?

The CAS number of diisooctyl phthalate is 27554-26-3.

Is diisooctyl phthalate a natural product?

Yes, diisooctyl phthalate is a natural product found in certain organisms like Lythrum salicaria and Streptomyces parvulus.

How many hydrogen bond acceptor counts does diisooctyl phthalate have?

Diisooctyl phthalate has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does diisooctyl phthalate have?

Diisooctyl phthalate has 16 rotatable bond counts.

What is the exact mass of diisooctyl phthalate?

The exact mass of diisooctyl phthalate is 390.27700969 g/mol.