Diallyl Adipate - CAS 2998-04-1

Catalog:	BB020404
Product Name:	Diallyl Adipate
CAS:	2998-04-1
Synonyms:	hexanedioic acid bis(prop-2-enyl) ester; bis(prop-2-enyl) hexanedioate

Technical Data

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Computed Properties

IUPAC Name:	bis(prop-2-enyl) hexanedioate
Description:	Diallyl Adipate (CAS# 2998-04-1) is used in preparation method of modified wax micropowder by irradiation crosslinking technology for coating ink.
Molecular Weight:	226.27
Molecular Formula:	C12H18O4
Canonical SMILES:	C=CCOC(=O)CCCCC(=O)OCC=C
InChI:	InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2
InChI Key:	FPODCVUTIPDRTE-UHFFFAOYSA-N
Boiling Point:	125-126 °C / 3 mmHg
Density:	1.02 g/cm³
Solubility:	Other solvents(Soluble) : Methanol, Many organic solvents
LogP:	2.00520

Publication Number	Title	Priority Date
JP-2021043462-A	Wavelength conversion member and its use, backlight unit, and image display device	20201119
JP-2020196264-A	Laminates, wavelength conversion members, backlight units, and image display devices	20200709
WO-2021152737-A1	Wavelength conversion member, backlight unit, and image display device	20200129
WO-2021152738-A1	Wavelength conversion member, backlight unit, and image display device	20200129
WO-2021152739-A1	Wavelength conversion member, backlight unit, and image display device	20200129

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.12050905
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.12050905
Rotatable Bond Count:	11
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9