Absorption, Distribution and Excretion
This study assessed the metabolism of acetylated tributyl citrate using male rats (number, weight, and strain not specified). Each animal received a single oral dose of 14C-acetylated tributyl citrate (dose not specified). Approximately 99% of the administered dose was excreted in urine (59% to 70%), feces (25% to 36%), or exhaled air (2%) 48 hours after administration. Only 0.36% to 1.26% of the dose remained in tissues or carcasses. Metabolism/Metabolites This study assessed the metabolism of acetylated tributyl citrate using male rats (number, weight, and strain not specified). ... Absorption and metabolism of 14C-acetylated tributyl citrate proceeded rapidly, and the following metabolites were identified: acetylated citrate, monobutyrate citrate, acetylated monobutyrate citrate, dibutyrate citrate, and acetylated dibutyrate citrate.

Toxicity Summary
Identification and Uses: Acetyl tributyl citrate (ATBC) is a colorless liquid and the most widely used phthalate alternative plasticizer. It is used in products such as food packaging, vinyl toys, and pharmaceutical excipients, and can also be used as a flavoring agent in non-alcoholic beverages. Human Exposure and Toxicity: This study evaluated the skin irritation of ATBC in 59 male and female subjects with a history of diabetes, psoriasis, or active skin diseases. ATBC was non-irritating to the skin, and no reactions suggestive of contact sensitization were observed during the study. In vitro studies showed that ATBC increased CYP3A4 messenger RNA (mRNA) levels and enzyme activity in human intestinal cells, but had no effect on human hepatocytes. Animal Studies: ATBC showed low acute oral toxicity in cats and rats. In ATBC-treated rats, CYP3A1 mRNA levels were elevated in the intestine, but not in the liver. In a 90-day repeated-dose oral dietary study in rats, weight loss and organ weight changes were observed in the 1000 mg/kg body weight/day dose group. In a combined repeated-dose/reproductive/developmental toxicity study in rats, organ weight changes and histopathological alterations were observed in year-old rats at a dose of 1000 mg/kg body weight/day. In a two-generation reproductive toxicity study in rats, body weight decreased in F1 generation male rats at a dose of 300 mg/kg body weight/day. No other treatment-related effects were observed in the same study. In a previously described combined repeated-dose/reproductive/developmental toxicity study in rats, liver histopathological alterations were observed in year-old male rats at a dose of 300 mg/kg body weight/day. In the same study, reduced litter size and implantation count were observed at a dose of 1000 mg/kg-bw/day. ATBC does not induce gene mutations in bacterial or mammalian cells in vitro, nor does it induce chromosomal aberrations in mammalian cells. Ecotoxicity studies: The 96-hour LC50 of acetylglucosamine tributyl citrate for fish was 38–60 mg/L, the 48-hour EC50 for aquatic invertebrates was 7.8 mg/L, and the 72-hour EC50 for aquatic plants was 11.5 mg/L for biomass and 74.4 mg/L for growth rate, respectively.

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Non-human toxicity values
Rats oral LD50: 31.4 g/kg
Mice intraperitoneal LD50: >4 g/kg
Cats oral LD50: >50 mL/kg

Acetyl tributyl citrate is an oxygen-containing organic compound whose function is related to tetracarboxylic acids. It is used as a flavoring agent and plasticizer in food packaging films.

C20H34O8

402.4792

402.225

77-90-7

Tributyl 2-acetoxypropane-1,2,3-tricarboxylate-d3;1794753-49-3

6505

Colorless liquid

1.1±0.1 g/cm3

418.1±40.0 °C at 760 mmHg

-59 °C

175.1±27.4 °C

0.0±1.0 mmHg at 25°C

1.458

6.92

0

8

19

28

476

0

O(C(C([H])([H])[H])=O)C(C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

QZCLKYGREBVARF-UHFFFAOYSA-N

InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3

tributyl 2-acetyloxypropane-1,2,3-tricarboxylate

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

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

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.

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Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)
*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).

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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)]
*Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline)

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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).

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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders

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Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

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 (Please use freshly prepared in vivo formulations for optimal results.)