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| CAS No.: | 123-28-4 |
|---|---|
| Name: | Dilauryl thiodipropionate |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| 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 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid Heating; | 76% |
| With Novozym 435 at 80℃; under 600.048 Torr; for 24h; |
| Conditions | Yield |
|---|---|
| In octane Heating; |
| Conditions | Yield |
|---|---|
| With phosphoric acid at 200℃; unter Abdestillieren des entstandenen Methanols; |
| Conditions | Yield |
|---|---|
| With Novozym 435 at 80℃; under 600.048 Torr; for 48h; |
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Consensus Reports
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. |