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Phthalic Acid Bis(2-butoxyethyl) Ester

Name: Phthalic Acid Bis(2-butoxyethyl) Ester
SKU: ACM117839-1
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Catalog NumberACM117839-1

CAS Number117-83-9

CategoryPlastic Additives; Plasticizers

Description

Liquid

IUPAC Name

bis(2-butoxyethyl) benzene-1,2-dicarboxylate

Molecular Weight

366.4g/mol

Molecular Formula

C20H30O6

Canonical SMILES

CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC

InChI

InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3

InChI Key

CMCJNODIWQEOAI-UHFFFAOYSA-N

Boiling Point

270 °C

Melting Point

FP: -55 °C

Flash Point

407 °F; 208 °C (CLOSED CUP);407 °F (208 °C) (Open cup)

Density

1.06 at 20 °C

Solubility

Soluble in organic solvents;In water, 300 mg/L, temp not specified

Application

Phthalic Acid Bis(2-butoxyethyl) Ester serves as a plasticizer, aimed at improving the flexibility and durability of materials such as polyvinyl chloride, polyvinyl acetate, and other resins. Represented by the empirical formula C20H30O6, this colorless liquid possesses a density of 1.063 and demonstrates solubility in organic solvents while remaining fairly insoluble in water. It is synthesized through the formal condensation of both carboxy groups of phthalic acid with two molecules of 2-butoxyethanol, making it a valuable component in enhancing the performance and versatility of various polymer-based applications.

Color/Form

Colorless liquid

Complexity

349

Covalently-Bonded Unit Count

EC Number

204-213-1

Exact Mass

366.204239g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 4.06 (est)

Monoisotopic Mass

366.204239g/mol

NSC Number

4840

Other Experimental

Wt/gal = 8.86 lb;Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/;Most phthalate esters have a relatively high calculated log octanol/water partition coefficient > 2.12 indicating that they are lipophilic. /Phthalate esters/;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;Fast to light, water-resistant.;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Henry's Law constant = 2.03X10-12 atn-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 4.25X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Refractive index = 1.486 at 20 °C/D.

Rotatable Bond Count

Stability

Fast to light

UNII

N3MI1R200O

Vapor Pressure

2.17X10-3 mm Hg at 25 °C (est)

Viscosity

42 mPa sec at 20 °C.

XLogP3