Benzyl Isononyl Phthalate (mixture of branched chain isomers)
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
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.
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.
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
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
13
Exact Mass
382.21440943 g/mol
Monoisotopic Mass
382.21440943 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
454
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
