Absorption, Distribution and Excretion
/Researchers/ found that t-butyl alcohol is eliminated slowly from the blood of rats. t-Butyl alcohol was dissolved in water and a dose of 25 mmol/kg was administered by gastric intubation to female Wistar rats (number unspecified). The t-butyl alcohol blood concentration at 2 hr was 13.24 mM, at 5 hr it was 12.57 mM, and at 20 hr it was 11.35 mM.
The purpose of this study was to fully characterize the pharmacokinetics of tertiary butyl alcohol in male and female F-344 rats following intravenous administration of 37.5, 75, 150 and 300 mg/kg TBA. TBA was observed to undergo a rapid distribution phase followed by a slower elimination phase. The steady-state volume of distribution for TBA was roughly 4.5 times greater than total body water, and the clearance was lower than the estimated glomerular filtration rate. The elimination of TBA appears to saturate at higher doses, as evidenced by a disproportional increase in area under the concentration-time curve and decreased rate of clearance.
In animals, tert-butanol is absorbed through the lungs and gastrointestinal tract ... .
t-Butyl alcohol moves rapidly from the blood into the tissues. Eleven male Sprague-Dawley rats were cannulated and intravenously given 350 mg/kg (14)C-t-butyl alcohol. At numerous times following injection, blood samples were withdrawn and the samples measured for radioactivity. There were two phases in the elimination of (14)C-t-butyl alcohol from the blood. The first was a rapid phase, which probably represented the distribution of (14)C-t-butyl alcohol from the blood to other body tissues. The second represented a first-order elimination of radioactivity from the blood with a half-life of approximately 8 hr, indicating that (14)C-t-butyl alcohol was being eliminated primarily as metabolic product(s).
For more Absorption, Distribution and Excretion (Complete) data for T-BUTYL ALCOHOL (9 total), please visit the HSDB record page.

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Metabolism / Metabolites
/Researchers/ administered 12 mmol of t-butyl alcohol by stomach tube to three chinchilla rabbits. t-Butyl alcohol was conjugated to a large extent with glucuronic acid, and glucuronides were readily isolated from the rabbit urine; as a percentage of dose, the average extra glucuronic acid excreted over 24 hr was 24.4%. The researchers suggested that volatile alcohols might also be eliminated to some extent in an unchanged state by the lungs. No aldehydes or ketones were detected in the expired air of a rabbit given 6 mL t-butyl alcohol (route unspecified).
t-Butyl alcohol is not a substrate for alcohol dehydrogenase or for the peroxidative activity of catalase, therefore, it is used frequently as an example of a non-metabolizable alcohol. tert-Butyl alcohol is a scavenger of the hydroxyl radical and can be oxidized to formaldehyde and acetone from four different systems; (a) iron catalyzed oxidation of ascorbic acid (b) hydrogen peroxide and iron (c) coupled oxidation of xanthine oxidase, an enzymatic bound system (d) NADPH-dependent microsomal electron transfer, a membrane bound system. Because of its special biochemical properties, t-butyl alcohol may be a valuable probe for the detection of hydroxyl radicals in intact cells and in vivo.
In vitro reactions with liver microsomes of mice produced tert-butanol from isobutane.
Male Wistar rats exposed to 50, 100, or 300 ppm methyl tertiary-butyl ether vapor ... showed ... blood concns of tert-butanol which were dose dependent indicating metabolic breakdown of the ether in vivo.
For more Metabolism/Metabolites (Complete) data for T-BUTYL ALCOHOL (6 total), please visit the HSDB record page.
Tert-butanol has known human metabolites that include Tert-butyl hydrogen sulfate and (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxane-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 not specified), the rate of disappearance of tert- butanol from the blood was apparently of first order with a half life of 9.1 hr.
Two Sprague-Dawley rats were given 1500 mg/kg (14)C-t-butyl alchol by oral gavage. Their blood was sampled at various times following the dosage. ... There was a half-life of 9 hr similar to that seen following intravenous dosing with 350 mg/kg (14)C-t-butyl alchol.
In mice, after a single ip injection of 8.1 mmol tert-butanol/kg body weight, initial blood levels of 8 mmol took 8-9 hr for elimination (blood- tert-butanol half-life was approximately 5 hr). However, after 3 days, inhalation at a vapor concentration to give levels of 8 mmol/L blood, tert-butanol disappeared within 3 hr of removal of mice from the inhalation chamber (half-life of tert- butanol in blood was approximately 1.5 hr).

Toxicity Data
LC50 (rat) = 10,000 ppm/4h

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Interactions
Tertiary butyl alcohol and trichloroacetic acid are known to be contaminants in drinking water. In order to evaluate the interactive toxicity of t-butyl alcohol with trichloroacetic acid, young male Wistar rats were dosed through water at a dose level of t-butyl alcohol (TBA)-0.5% (v/v), trichloroacetic acid (TCA)-25 ppm and a combined dose of TBA + TCA (0.5% v/v TBA-25 ppm TCA) for a period of 10 weeks ad libitum and were maintained on normal diet. The control animals received plain water and normal diet. The liver and kidney histology was undertaken to see whether subtoxic administration of TBA and TCA individually as well as combined administration for a period of 10 weeks would bring about any histological alterations. It was observed that TBA, TCA and TBA + TCA caused histological alterations in the liver such as centrilobular necrosis, vacuolation in hepatocytes and loss of hepatic architecture. TBA and TBA + TCA caused periportal proliferation and lymphocytic infiltration. Hypertrophy of hepatocytes in the periportal area was a characteristic feature in the liver of TCA treated rats. Moreover, in the histology of the kidney, in the three treated groups, degeneration of renal tubules, with syncitial arrangements of the nucleus of renal tubular epithelial cells was evident. In addition to this, degeneration of the basement membrane of the Bowmans capsule, diffused glomeruli and vacuolation of glomeruli was also evident in the three treated rat kidneys. Renal tubular proliferation in certain areas was also evident in certain areas of the kidney in TCA treated rats. The results indicate that, TBA and TCA do bring about alterations in histology of liver and kidney, but on combined administration, do not show enhanced toxicity in the form of increased hepatic and renal injury.

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Non-Human Toxicity Values
LD50 Rats oral 3500 mg/kg bw
LD50 Rabbit oral 3.6 g/kg bw
LD50 Mouse ip 0.9 g/kg bw
LD50 Mouse iv 1.5 g/kg bw
LD50 Mouse subcutanous 3.9 g/kg bw

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

Tert-butyl alcohol is a colorless oily liquid with a sharp alcohol odor. Floats and mixes with water. Produces irritating vapor. Freezing point is 78 °F. (USCG, 1999)
Tert-butanol is a tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. It has a role as a human xenobiotic metabolite. It derives from a hydride of an isobutane.
tert-Butanol has been reported in Psidium guajava with data available.
An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.
See also: tert-Butoxy (annotation moved to).

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.)