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| Other Sizes |
| ln Vitro |
For study pertaining to life sciences, dilauryl thiodipropionate is a biochemical reagent that can be utilized as an organic substance or biological material.
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|---|---|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
LIKE THE ACID, LAURYL THIODIPROPIONATE IS ABSORBED FROM INTESTINAL TRACT OF DOG, RABBITS, & RAT, & LARGE PART IS ELIMINATED FROM BODY BY KIDNEYS, AS THIODIPROPIONIC ACID. SINGLE ORAL DOSES IN RATS OF 1-(14)C DIDODECYL THIODIPROPIONATE (107 & 208 MG/KG) WERE RAPIDLY ELIMINATED, MOSTLY IN URINE (85-88%), WITH LESS IN FECES (1.8-3.5%) AND AS (14)CO2 (3-4%, BY DAY 4). Metabolism / Metabolites LIKE THE ACID, LAURYL THIODIPROPIONATE IS ABSORBED FROM INTESTINAL TRACT OF DOG, RABBITS, & RAT, & LARGE PART IS ELIMINATED FROM BODY BY KIDNEYS, AS THIODIPROPIONIC ACID. Dilauryl thiodipropionate (DLTDP), dicetyl thiodipropionate, dimyristyl thiodipropionate, distearyl thiodipropionate, and ditridecyl thiodipropionate are dialkyl esters of their respective alcohols and thiodipropionic acid (TDPA) used in cosmetics. Ingested DLTDP was excreted in the urine as TDPA. Single-dose acute oral and parenteral studies and subchronic and chronic repeated dose oral studies did not suggest significant toxicity. Neither DLTDP nor TDPA was irritating to animal skin or eyes and they were not sensitizers. TDPA was neither a teratogen nor a reproductive toxicant. Genotoxicity studies were negative for TDPA and DLTDP. Clinical testing demonstrated some evidence of irritation but no sensitization or photosensitization. The Cosmetic Ingredient Review Expert Panel considered that the data from DLTDP reasonably may be extrapolated to the other dialkyl esters and concluded that these ingredients were safe for use in cosmetic products that are formulated to be nonirritating. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
LD50 Rat oral >2500 mg/kg bw LD50 Mouse ip >2000 mg/kg bw LD50 Mouse oral >2000 mg/kg bw |
| Additional Infomation |
Didodecyl thiobispropanoate is a dicarboxylic acid.
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| Molecular Formula |
C30H58O4S
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|---|---|
| Molecular Weight |
514.85
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| Exact Mass |
514.405
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| CAS # |
123-28-4
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| PubChem CID |
31250
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| Appearance |
White flakes
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
580.8±35.0 °C at 760 mmHg
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| Melting Point |
40-42 °C(lit.)
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| Flash Point |
264.8±14.0 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.472
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| LogP |
12.88
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
30
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| Heavy Atom Count |
35
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| Complexity |
416
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
GHKOFFNLGXMVNJ-UHFFFAOYSA-N
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| InChi Code |
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
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| Chemical Name |
dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
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| Synonyms |
NSC-65494; NSC 65494; Dilauryl thiodipropionate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9423 mL | 9.7116 mL | 19.4231 mL | |
| 5 mM | 0.3885 mL | 1.9423 mL | 3.8846 mL | |
| 10 mM | 0.1942 mL | 0.9712 mL | 1.9423 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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