Product Name

  • Name

    Dilauryl thiodipropionate

  • EINECS 204-614-1
  • CAS No. 123-28-4
  • Article Data12
  • CAS DataBase
  • Density 0.945 g/cm3
  • Solubility
  • Melting Point 40-42 °C(lit.)
  • Formula C30H58O4S
  • Boiling Point 580.8 °C at 760 mmHg
  • Molecular Weight 514.854
  • Flash Point 264.8 °C
  • Transport Information
  • Appearance White crystalline powder
  • Safety
  • Risk Codes  Xi:Irritant;
  • Molecular Structure Molecular Structure of 123-28-4 (Dilauryl thiodipropionate)
  • Hazard Symbols Xi
  • 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;
  • PSA 77.90000
  • LogP 9.42800

Synthetic route

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

4-thiaheptane-1,7-dioic acid

1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

dilauryl thiodipropionate
123-28-4

dilauryl thiodipropionate

Conditions
ConditionsYield
With sulfuric acid Heating;76%
With Novozym 435 at 80℃; under 600.048 Torr; for 24h;
1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

thiodipropionic acid bis-amide
5459-10-9

thiodipropionic acid bis-amide

dilauryl thiodipropionate
123-28-4

dilauryl thiodipropionate

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

diethyl 3,3'-thiobispropionate

1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

dilauryl thiodipropionate
123-28-4

dilauryl thiodipropionate

Conditions
ConditionsYield
In octane Heating;
1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

thiohydracrylic acid dimethyl ester

thiohydracrylic acid dimethyl ester

dilauryl thiodipropionate
123-28-4

dilauryl thiodipropionate

Conditions
ConditionsYield
With phosphoric acid at 200℃; unter Abdestillieren des entstandenen Methanols;
1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

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

Dimethyl 3,3'-thiodipropionate

dilauryl thiodipropionate
123-28-4

dilauryl thiodipropionate

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

Dilauryl thiodipropionate Consensus Reports

Reported in EPA TSCA Inventory.

Dilauryl thiodipropionate 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)2
S(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) Effect 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.

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