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1,2,3,6-TETRAHYDROPHTHALIC ACID DI(2-ETHYLHEXYL) ESTER

1,2,3,6-TETRAHYDROPHTHALIC ACID DI(2-ETHYLHEXYL) ESTER

Inquiry

Molecular Formula:

C24H42O4

Molecular Weight:

394.59

CAS Number:

2915-49-3

Catalog Number:

2915-49-3

Product Information

Molecular Formula:

C24H42O4

Molecular Weight:

394.59

Description

1,2,3,6-TETRAHYDROPHTHALIC ACID DI(2-ETHYLHEXYL) ESTER is a very effective plasticizer and solvent widely used in medical device manufacturing and synthesis of pharmaceutical compounds.

Synonyms

4-Cyclohexene-1,2-dicarboxylicacid,bis(2-ethylhexyl)ester; 1,2,3,6-TETRAHYDROPHTHALIC ACID DI(2-ETHYLHEXYL) ESTER; 4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID DI(2-ETHYLHEXYL) ESTER; DI(2-ETHYLHEXYL) 1,2,3,6-TETRAHYDROPHTHALATE; DI(2-ETHYLHEXYL) 4-CYCLOHEXENE-1,2-DI

IUPAC Name

bis(2-ethylhexyl) cyclohex-4-ene-1,2-dicarboxylate

Canonical SMILES

CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H42O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,19-22H,5-10,13-18H2,1-4H3

InChI Key

SVVBLKNHJWTATO-UHFFFAOYSA-N

Boiling Point

462.9ºC at 760 mmHg

Flash Point

202 °C

Purity

95%

Density

0.97

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

1.46

Computed Properties

XLogP3

7.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

394.30830982 g/mol

Monoisotopic Mass

394.30830982 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

429

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

1,2,3,6-TETRAHYDROPHTHALIC ACID DI(2-ETHYLHEXYL) ESTER

Product Information

Computed Properties

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