CAS 123-28-4 Didodecyl 3,3'-thiodipropionate

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Didodecyl 3,3'-thiodipropionate

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Catalog Number

ACM123284-2

Product Name

Didodecyl 3,3'-thiodipropionate

Structure

CAS

123-28-4

Category

Plastic Additives

Synonyms

Thiodipropionic acid dilauryl ester

Description

Liquid; OtherSolid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;Solid

IUPAC Name

dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate

Molecular Weight

514.84

Molecular Formula

S[CH2CH2CO2(CH2)11CH3]2

Canonical SMILES

CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC

InChI

1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChI Key

GHKOFFNLGXMVNJ-UHFFFAOYSA-N

Melting Point

40-42 °C (lit.)

Purity

99%

Density

0.915 g/mL at 25 °C (lit.)

Solubility

Soluble in most organic solvents;In water, 2.2X10-7 mg/L at 25 °C (est)

Application

This product is suitable for scientific research.

Color/Form

White flakes

Complexity

416

Covalently-Bonded Unit Count

EC Number

204-614-1

Exact Mass

514.405582g/mol

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Formal Charge

Heavy Atom Count

Log P

log Kow = 11.8 (est)

MDL Number

MFCD00026589

MeSH Entry Terms

propanoic acid 3,3'-thiobis(didodecyl) ester;PTDE

Monoisotopic Mass

514.405582g/mol

NSC Number

65494

Odor

Sweetish odor

Other Experimental

Vapor pressure = 0.2 mm Hg at 163 deg;Extremely resistant to heat and hydrolysis.;Henry's Law constant = 4X10-6 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 5.2X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

V51YH1B080

Vapor Pressure

0.2 mmHg ( 163 °C)

XLogP3

11.7

MSDS

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COA

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Spec Sheet