Absorption, Distribution and Excretion
Researchers found that tert-butanol is slowly eliminated from the blood of rats. Tert-butanol was dissolved in water and administered to female Wistar rats (number not specified) via gastric tube instillation at a dose of 25 mmol/kg. After 2 hours, the plasma concentration of tert-butanol was 13.24 mM; after 5 hours, it was 12.57 mM; and after 20 hours, it was 11.35 mM. This study aimed to comprehensively characterize the pharmacokinetic properties of tert-butanol after intravenous injection of 37.5, 75, 150, and 300 mg/kg in male and female F-344 rats. The distribution of tert-butanol was observed to proceed in two phases: rapid distribution and slower elimination. The steady-state volume of distribution of tert-butanol (TBA) is approximately 4.5 times the total body fluid volume, and its clearance is lower than the estimated glomerular filtration rate. TBA elimination appears to saturate at high doses, as evidenced by a disproportionate increase in the area under the concentration-time curve and a decrease in clearance.
In animals, tert-butanol is absorbed through the lungs and gastrointestinal tract…
Tert-butanol rapidly enters tissues from the bloodstream. Eleven male Sprague-Dawley rats were cannulated and intravenously injected with 350 mg/kg of 14Ct-butanol. Blood samples were taken at multiple time points after injection and their radioactivity was measured. Elimination of 14Ct-butanol from the blood was divided into two phases. The first phase was a rapid phase, which likely represents the distribution of 14Ct-butanol from the blood to other body tissues. The second indicator represents primary elimination of the radioactive material from the blood, with a half-life of approximately 8 hours, indicating that (14)Ct-butanol is primarily excreted as metabolites.
For more data on the absorption, distribution, and excretion (complete) of tert-butanol (9 items in total), please visit the HSDB records page.
Metabolism/Metabolites
Researchers administered 12 mmol of tert-butanol to three chinchilla rabbits via gavage. Tert-butanol bound extensively to glucuronic acid, which was readily expelled from the rabbit urine; an average of 24.4% of the dose of glucuronic acid was excreted additionally over 24 hours. Researchers believe that volatile alcohols may also be excreted unchanged via the lungs. No aldehydes or ketones were detected in the exhaled breath of rabbits after administration of 6 mL of tert-butanol (route not specified).
Tert-butanol is not a substrate for alcohol dehydrogenases or catalases; therefore, it is often used as an example of non-metabolic alcohols. Tert-butanol is a scavenger of hydroxyl radicals and can be oxidized to formaldehyde and acetone via four different systems: (a) iron-catalyzed ascorbic acid oxidation; (b) hydrogen peroxide and iron; (c) coupled oxidation by xanthine oxidase, an enzymatic system; and (d) NADPH-dependent microsomal electron transport, a membrane-bound system. Due to its unique biochemical properties, tert-butanol may be an effective probe for detecting intact cells and hydroxyl radicals in vivo. In vitro reactions in mouse liver microsomes can generate tert-butanol from isobutane. Male Wistar rats exposed to 50, 100, or 300 ppm of methyl tert-butyl ether vapor… showed dose-dependent concentrations of tert-butanol in the blood, indicating that the ether is metabolized in vivo. For more complete data on the metabolism/metabolites of tert-butanol (6 in total), please visit the HSDB record page. Known human metabolites of tert-butanol include tert-butyl hydrogen sulfate and (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2-methylprop-2-yl)oxy]oxacyclohexane-2-carboxylic acid. Tert-butanol is a known human metabolite of tert-butyl ethyl ether (ETBE) and tert-butyl methyl ether.

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Biological Half-Life
In Long-Evans rats treated with tert-butanol (1 g/kg body weight, route of administration not specified), the rate of disappearance of tert-butanol from the blood was clearly kinetic, with a half-life of 9.1 hours.
Two Sprague-Dawley rats were orally administered 1500 mg/kg (14)-Ct-butanol. Blood samples were collected at different time points after administration. …The half-life was 9 hours, similar to that after intravenous injection of 350 mg/kg (14)-tert-butanol.
In mice, after a single intraperitoneal injection of 8.1 mmol/kg body weight of tert-butanol, the initial blood concentration was 8 mmol, requiring 8–9 hours for elimination (the half-life of tert-butanol in blood is approximately 5 hours). However, after 3 days, when the mice were removed from the inhalation chamber after inhaling vapor at a concentration of 8 mmol/L in the blood, tert-butanol disappeared from the blood within 3 hours (the half-life of tert-butanol in the blood is about 1.5 hours).

Toxicity Data
LC50 (Rat) = 10,000 ppm/4h
Interactions Tert-butanol and trichloroacetic acid (TCA) are known contaminants in drinking water. To assess the toxic interaction between tert-butanol and TCA, young male Wistar rats were given 0.5% (v/v) tert-butanol (TBA), 25 ppm TCA, and a combination of TBA and TCA (0.5% v/v TBA + 25 ppm TCA) in drinking water for 10 weeks on an ad libitum diet. Control animals were given plain water and a normal diet. Histological examinations of the liver and kidneys were performed to observe whether administration of subtoxic doses of TBA and TCA alone or in combination for 10 weeks caused any histological changes. Observations revealed that TBA, TCA, and TBA + TCA all resulted in histological changes in the liver, such as centrilobular necrosis, hepatocyte vacuolation, and liver structural damage. TBA and TBA + TCA also caused periportal hyperplasia and lymphocytic infiltration. Periportal hepatocyte hypertrophy was a characteristic feature of the liver in TCA-treated rats. Furthermore, in renal histology, tubular degeneration was observed in all three treatment groups, with syncytial arrangement of tubular epithelial cell nuclei. In addition, degeneration of the basement membrane of Bowman's capsule, glomerular diffusion, and glomerular vacuolation were also observed in the kidneys of rats in all three treatment groups. Tubular hyperplasia was also observed in certain areas of the kidneys of rats in the TCA-treated group. The results indicate that both TBA and TCA cause histological changes in the liver and kidneys, but combined administration did not show an increased toxicity leading to further liver and kidney damage.

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Non-human toxicity values
Rats: Oral LD50 3500 mg/kg body weight
Rabbit: Oral LD50 3.6 g/kg body weight
Mice: Intraperitoneal LD50 0.9 g/kg body weight
Mice: Intravenous LD50 1.5 g/kg body weight
Mice: Subcutaneous LD50 3.9 g/kg body weight

[1]. Biochemical reagents. Methods of Enzymatic Analysis. Academic Press, 1965. 967-1037.

tert-Butanol is a colorless, oily liquid with a pungent alcoholic odor. It floats on water and is miscible with water. Its vapor is irritating. Its freezing point is 78 °F (26 °C). (US Coast Guard, 1999)
Tert-Butanol is a tertiary alcohol, a product of isobutane with a hydroxyl group replaced at the 2-position. It is an exogenous metabolite in humans. It is derived from the hydride of isobutane.
Tert-Butanol has been reported in guava (Psidium guajava), and relevant data exists.
It is an isomer of butanol, containing a tert-butyl group composed of three methyl groups, each attached to a central (tert-)carbon atom.
See also: tert-Butoxy (note moved here).

C4H10O

74.12

74.073

75-65-0

6386

A colorless liquid, which forms rhombic crystals melting at 25 to 25.5 °C
Colorless liquid or rhombic prisms or plates
Crystals
Colorless liquid or solid (above 77 °F) [Note: Often used in aqueous solutions].

0.8±0.1 g/cm3

84.6±8.0 °C at 760 mmHg

23-26 °C(lit.)

11.7±0.0 °C

46.0±0.3 mmHg at 25°C

1.395

0.51

1

1

0

5

25.1

0

DKGAVHZHDRPRBM-UHFFFAOYSA-N

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

2-methylpropan-2-ol

Trimethyl carbinol, 99.5%; tert-Butyl alcohol, 99.5%; 2-Methyl-2-propanol, 99.5%

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: This product requires protection from light (avoid light exposure) during transportation and storage.

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.)