Diallyl Isophthalate

Inquiry

Molecular Formula:

C14H14O4

Molecular Weight:

246.26

CAS Number:

1087-21-4

Catalog Number:

1087-21-4

Product Information

Molecular Formula:

C14H14O4

Molecular Weight:

246.26

Description

Diallyl Isophthalate serves as an efficacious agent for diverse ailments. With its remarkable attributes as an antioxidant and anti-inflammatory entity, it assumes paramount importance in the realm of pharmaceutical formulations targeting the amelioration of disorders linked to oxidative stress and inflammation. This substance imparts its curative prowess to combat cardiovascular afflictions, cancerous proliferation, and degenerative neurological maladies.

Synonyms

Isophthalic Acid Diallyl Ester

IUPAC Name

bis(prop-2-enyl) benzene-1,3-dicarboxylate

Canonical SMILES

C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C

InChI

InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2

InChI Key

OOORLLSLMPBSPT-UHFFFAOYSA-N

Boiling Point

163 °C/8 mmHg

Flash Point

163 °C

Purity

>98.0%(GC)(T)

Appearance

Colorless to Almost colorless clear liquid

Application

Used for polyester, alkyd, polyurethane, and other high polymers and plasticizers.

Storage

0-10°C

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

2.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

246.08920892 g/mol

Monoisotopic Mass

246.08920892 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

292

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
CN-114196099-A	Polyolefin resin foamed sheet and preparation method thereof	2022-02-18
JP-2022019933-A	Cross-linked polyolefin resin foam, method for producing cross-linked polyolefin resin foam, and concave molded product	2021-12-02
CN-114045132-A	Tile back glue emulsion and preparation and detection method thereof	2021-11-29
CN-114163670-A	Energy-saving and environment-friendly epoxy vinyl ester resin prepreg and preparation method and curing method thereof	2021-11-16
CN-114094102-A	Secondary battery	2021-11-03
JP-2022009139-A	Radiation-sensitive resin composition	2021-10-14
CN-113736424-A	Single-component thermosetting polyurethane structural adhesive and preparation method thereof	2021-09-30
CN-113999113-A	Motion protection type lens resin monomer, preparation method and production system thereof	2021-09-26
CN-215816366-U	Antenna assembly	2021-09-23
CN-113842146-A	Single-pair tooth occlusal force measuring device	2021-09-06

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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Volume _(start)

Concentration _(final)

Volume _(final)