CAS No.123-28-4,Dilauryl thiodipropionate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123-28-4
Name:	Dilauryl thiodipropionate
Article Data:	12
Cas Database

Formula:	C₃₀H₅₈O₄S
Molecular Weight:	514.854
Synonyms:	Propanoicacid, 3,3'-thiobis-, didodecyl ester (9CI);Propionic acid, 3,3'-thiodi-,didodecyl ester (6CI,8CI);Advastab 800;D 1;D 1 (antioxidant);DLT;DLTDP;DLTP;DMPTP;Didodecyl3,3'-thiodipropionate;Dilauryl 3,3'-thiodipropionate;Dilauryl b,b'-thiodipropionate;Dilauryl b-thiodipropionate;Hostanox SE 1;Ipognox 89;Irgafos PS 800;Irganox PS 800;Irganox PS 800FL;Lauryl3,3'-thiodipropionate;Lusmit;Milban F;NSC 65494;Neganox DLTP;Nocrac 400;Nonox DLTDP;PS 800;Plastanox LTDP;Plastanox LTDP Antioxidant;Rasumitto;
EINECS:	204-614-1
Density:	0.945 g/cm³
Melting Point:	40-42 °C(lit.)
Boiling Point:	580.8 °C at 760 mmHg
Flash Point:	264.8 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
PSA:	77.90000
LogP:	9.42800

Synthetic route

: 111-17-1
4-thiaheptane-1,7-dioic acid

: 112-53-8
1-dodecyl alcohol

: 123-28-4
dilauryl thiodipropionate

Conditions

Conditions	Yield
With sulfuric acid Heating;	76%
With Novozym 435 at 80℃; under 600.048 Torr; for 24h;

: 112-53-8
1-dodecyl alcohol

: 5459-10-9
thiodipropionic acid bis-amide

: 123-28-4
dilauryl thiodipropionate

: 673-79-0
diethyl 3,3'-thiobispropionate

: 112-53-8
1-dodecyl alcohol

: 123-28-4
dilauryl thiodipropionate

Conditions

Conditions	Yield
In octane Heating;

: 112-53-8
1-dodecyl alcohol

thiohydracrylic acid dimethyl ester: thiohydracrylic acid dimethyl ester

: 123-28-4
dilauryl thiodipropionate

Conditions

Conditions	Yield
With phosphoric acid at 200℃; unter Abdestillieren des entstandenen Methanols;

: 112-53-8
1-dodecyl alcohol

: 4131-74-2
Dimethyl 3,3'-thiodipropionate

: 123-28-4
dilauryl thiodipropionate

Conditions

Conditions	Yield
With Novozym 435 at 80℃; under 600.048 Torr; for 48h;

Raw Materials

112-53-8

5459-10-9

673-79-0

4131-74-2

111-17-1

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Dilauryl thiodipropionate, with the CAS registry number 123-28-4, is also known as Lauryl 3,3'-thiodipropionate. Its EINECS registry number is 204-614-1. This chemical's molecular formula is C₃₀H₅₈O₄S and molecular weight is 514.84412. Its IUPAC name is called dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate. Dilauryl thiodipropionate can be used as antioxidant and antistaling agent for fatty food and edible oils. Its maximum capacity is 0.2g/kg. What's more, it can be used as auxiliary antioxygen in polypropylene and polyethylene and ABS resin. In addition, it also can be used in rubber processing lubrication grease.

Physical properties of Dilauryl thiodipropionate: (1)ACD/LogP: 12.88; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.88; (4)ACD/LogD (pH 7.4): 12.88; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 30; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 152.58 cm³; (13)Molar Volume: 544.6 cm³; (14)Surface Tension: 35.1 dyne/cm; (15)Density: 0.945 g/cm³; (16)Flash Point: 264.8 °C; (17)Enthalpy of Vaporization: 86.86 kJ/mol; (18)Boiling Point: 580.8 °C at 760 mmHg; (19)Vapour Pressure: 1.76E-13 mmHg at 25°C.

Preparation: this chemical can be prepared by sodium sulfide and acrylonitrile. This reaction will need reagents 55% sulfuric acid, laurinol and solvent acetone.

2CH₂＝CHCN+Na₂S→S(CH＝CHCOONa)₂[H₂SO₄] →S(CH＝CHCOOH)₂S(CH＝CHCOOH)₂+2C₁₂H₂₅OH→S(CH＝CHCOOC₁₂H₂₅)₂+2H₂O

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
(2)InChI: 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
(3)InChIKey: GHKOFFNLGXMVNJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LD50	unreported	> 15gm/kg (15000mg/kg)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(7), Pg. 74, 1977.
mouse	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)	Journal of the American College of Toxicology. Vol. 11, Pg. 25, 1992.
mouse	LD50	oral	> 2gm/kg (2000mg/kg)	Journal of the American College of Toxicology. Vol. 11, Pg. 25, 1992.
rat	LD50	oral	> 2500mg/kg (2500mg/kg)	Advances in Food Research. Vol. 3, Pg. 197, 1951.