Bis(2-Ethylhexyl) Adipate - Materials / Alfa Chemistry

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Bis(2-Ethylhexyl) Adipate

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Catalog Number

ACMA00016854

Product Name

Bis(2-Ethylhexyl) Adipate

Category

Polymers

Description

Bis(2-ethylhexyl) adipate is a colorless to straw-colored liquid with a mild odor. Floats on water. (USCG, 1999);Liquid; PelletsLargeCrystals; WetSolid;Liquid;COLOURLESS-TO-YELLOW LIQUID.;Clear colourless liquid; Slight fatty aroma

IUPAC Name

bis(2-ethylhexyl) hexanedioate

Molecular Weight

370.6g/mol

Molecular Formula

C22H42O4;C22H42O4

Canonical SMILES

CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3

InChI Key

SAOKZLXYCUGLFA-UHFFFAOYSA-N

Boiling Point

783 °F at 760 mm Hg (NTP, 1992);417.0 °C;214 °C @ 5 mm Hg;417 °C

Melting Point

-90 °F (NTP, 1992);-67.8 °C;-67.8 °C;-67.8°C;-67.8 °C

Flash Point

385 °F (NTP, 1992);402 °F (206 °C) (OPEN CUP);196 °C c.c.

Density

0.923 (USCG, 1999);0.922 @ 25 °C/4 °C;Relative density (water = 1): 0.92;0.924-0.930 (20?°)

Solubility

less than 0.1 mg/mL at 72° F (NTP, 1992);2.10e-06 M;SOL IN MOST ORG SOLVENTS; INSOL OR VERY SLIGHTLY SOL IN GLYCERINE & GLYCOLS;Soluble in ethanol, ethyl ether, acetone, and acetic acid;In water, 0.78 mg/l @ 22 °C;0.00078 mg/mL at 22 °C;Solubility in water, g/100ml at 20 °C: (none);Practically insoluble or insoluble in water;Soluble (in ethanol)

Color/Form

COLORLESS OR VERY PALE AMBER LIQ;Light colored, oily liquid.

Complexity

320

Covalently-Bonded Unit Count

EC Number

203-090-1;615-074-5

Exact Mass

370.30831g/mol

Formal Charge

Heat of Vaporization

1.2542X10+8 J/kmol at -111.66 °C

Heavy Atom Count

ICSC Number

1292

Log P

8.1 (calculated)

MeSH Entry Terms

adipic acid, dioctyl ester;DEHA;DEHA compound;di-2-ethyl-hexyl adipate;diethylhexyl adipate;diethylhexyladipate;dioctyl adipate

Monoisotopic Mass

370.30831g/mol

NSC Number

56775

Odor

SLIGHT AROMATIC SMELL;Odorless;Mild

Other Experimental

Pour point: -75 °C;VAPOR PRESSURE: 2.4 MM HG @ 200 °C;Henry's Law constant= 4.34X10-7 atm-cu m/mole @ 20 °C;Wt/gal: 7.71 lb (20 °C)

Refractive Index

Index of refraction: 1.4474 @ 20 °C/D;1.444-1.450

Rotatable Bond Count

RTECS Number

AU9700000

UNII

MBY1SL921L

UN Number

3082

Vapor Density

12.8 (NTP, 1992) (Relative to Air);12.8 (Air= 1);Relative vapor density (air = 1): 12.8

Vapor Pressure

less than 0.01 mm Hg at 68 °F ; 2.6 mm Hg at 392° F (NTP, 1992);8.50e-07 mmHg;8.5X10-7 mm Hg at 20 °C;Vapor pressure, kPa at 20 °C: 0.11

Viscosity

13.7 cP @ 20 °C;12.4 mm2/s at 25 °C

XLogP3

6.8

MSDS

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COA

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Spec Sheet

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