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Benzyl Isononyl Phthalate (mixture of branched chain isomers)

Benzyl Isononyl Phthalate (mixture of branched chain isomers)

Inquiry

Molecular Formula:

C24H30O4

Molecular Weight:

382.5

CAS Number:

126198-74-1

Catalog Number:

126198-74-1

Product Information

Molecular Formula:

C24H30O4

Molecular Weight:

382.5

Description

Benzyl Isononyl Phthalate (mixture of branched chain isomers) is a versatile compound widely used in the biomedical industry as a plasticizer in various medical devices and medications. This mixture of branched chain isomers exhibits excellent compatibility and stability when incorporated into drug formulations, enabling controlled release and enhancing drug absorption. It finds applications in the drug development of cardiovascular diseases, inflammatory disorders, and cancer therapies, among others.

Synonyms

Phthalic Acid Benzyl Isononyl Ester (mixture of branched chain isomers)

IUPAC Name

2-O-benzyl 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate

Canonical SMILES

CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H30O4/c1-19(2)12-6-3-4-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20-13-7-5-8-14-20/h5,7-10,13-16,19H,3-4,6,11-12,17-18H2,1-2H3

InChI Key

IZTZLYGDXPHVQF-UHFFFAOYSA-N

Flash Point

228 °C

Purity

multi component mixture(GC)

Density

1.06

Appearance

Colorless to Light yellow clear liquid

Safety Information

Hazards

H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

7.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

382.21440943 g/mol

Monoisotopic Mass

382.21440943 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

454

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2021202876-A1	Polyurethane prepolymer composition comprising an alkyl benzoate	2020-04-01
JP-WO2018012415-A1	Resin composition and use thereof	2016-07-15
WO-2018012415-A1	Resin composition and use thereof	2016-07-15
JP-2017148222-A	Quality control phantom for photoacoustic wave diagnostic equipment	2016-02-24
AU-2016270771-A1	Foamed, opacifying elements and methods of making	2015-06-04
AU-2016271554-A1	Foamed aqueous composition	2015-06-04
CA-2984428-A1	Foamed aqueous composition	2015-06-04
CA-2984428-C	Foamed aqueous composition	2015-06-04
CA-2984497-A1	Foamed, opacifying elements and methods of making	2015-06-04
EP-3303459-A1	Foamed aqueous composition	2015-06-04

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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