CAS 84-75-3 Dihexyl Phthalate - Materials / Alfa Chemistry

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Dihexyl Phthalate

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Catalog Number

ACM84753-1

Product Name

Dihexyl Phthalate

Structure

CAS

84-75-3

Category

Plastic Additives

Synonyms

Phthalic Acid Dihexyl Ester

Description

Di-n-hexyl phthalate is a yellow-brown oily viscous liquid with a slight aromatic odor. Insoluble in water. (NTP, 1992);Liquid;Yellow-brown oily viscous liquid with a slight aromatic odor.

IUPAC Name

dihexyl benzene-1,2-dicarboxylate

Molecular Weight

334.46

Molecular Formula

C20H30O4

Canonical SMILES

CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

InChI

InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

InChI Key

KCXZNSGUUQJJTR-UHFFFAOYSA-N

Boiling Point

333 °C

Melting Point

-72 °F (NTP, 1992);-58.0 °C;-58 °C;-72°F

Flash Point

177 °C

Purity

98%

Density

0.995 at 68 °F (NTP, 1992);1.010-1.016 at 20 °C/20 °C;0.995

Solubility

Insoluble (NTP, 1992);1.49e-07 M;In water, 0.05 mg/L at 25 °C

Color/Form

Clear, oily liuid

Complexity

320

Covalently-Bonded Unit Count

EC Number

201-559-5

Exact Mass

334.214409g/mol

Formal Charge

Heavy Atom Count

Log P

6.82 (LogP);log Kow = 6.82

MeSH Entry Terms

di-n-hexyl phthalate;dihexyl phthalate;phthalic acid dihexyl ester

Monoisotopic Mass

334.214409g/mol

NSC Number

4817

Odor

Slightly aromatic

Other Experimental

CONVERSION FACTORS: 13.65 MG/CU M= APPROX 1 PPM;Acidity (as phthalic acid) 0.01% max;Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;... 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 = 2.57X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.49X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

42MAH1QFG5

UN Number

3082

Vapor Density

11.5 (NTP, 1992) (Relative to Air);11.5 (Air = 1);11.5

Vapor Pressure

1.40e-05 mmHg;1.4X10-5 mm Hg at 25 °C

XLogP3

6.9

MSDS