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19460

Sigma-Aldrich

tert-Butanol

puriss. p.a., ACS reagent, ≥99.7% (GC)

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Synonym(s):
TBA, 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol
Linear Formula:
(CH3)3COH
CAS Number:
Molecular Weight:
74.12
Beilstein:
906698
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

grade

ACS reagent
puriss. p.a.

Quality Level

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C)
44 mmHg ( 26 °C)

Assay

≥99.7% (GC)

form

solid or liquid

autoignition temp.

896 °F

expl. lim.

8 %

impurities

≤0.1% water
<0.01% carbonyl compounds (as HCHO)

evapn. residue

≤0.001%

refractive index

n20/D 1.387 (lit.)
n20/D 1.387

pH

7 (20 °C)

bp

83 °C (lit.)

mp

23-26 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CC(C)(C)O

InChI

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

InChI key

DKGAVHZHDRPRBM-UHFFFAOYSA-N

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1 of 4

This Item
24127360538B85927
tert-Butanol puriss. p.a., ACS reagent, &#8805;99.7% (GC)

Sigma-Aldrich

19460

tert-Butanol

Essential Grade
tert-Butanol &#8805;99% (GC)

Sigma-Aldrich

24127

tert-Butanol

-
tert-Butanol ACS reagent, &#8805;99.0%

Sigma-Aldrich

360538

tert-Butanol

-
tert-Butanol TEBOL&#174; 99, &#8805;99.3%

Sigma-Aldrich

B85927

tert-Butanol

-
vapor density

2.5 (vs air)

vapor density

2.5 (vs air)

vapor density

2.5 (vs air)

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

vapor pressure

31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

vapor pressure

31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

vapor pressure

31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

assay

≥99.7% (GC)

assay

≥99% (GC)

assay

≥99.0%

assay

≥99.3%

form

solid or liquid

form

liquid

form

solid or liquid

form

solid or liquid

autoignition temp.

896 °F

autoignition temp.

896 °F

autoignition temp.

896 °F

autoignition temp.

896 °F

General description

tert-Butanol is a tertiary alcohol. Aqueous potassium peroxodisulphate undergoes photolysis in the presence of tert-butanol on irradiation with 254nm light at 20°C. It participates in the 12-tungstophosphoric acid supported on zirconia (TPA/ZrO2) catalyzed butylation of p-cresol.

Application

tert-Butanol may be employed for the preparation of carbohydrate fatty acid esters. It may be employed as reaction medium during the production of fatty acid methyl ester (FAME) from waste cooking palm oil (WCPO) by lipase-catalyzed reaction.
tert-Butanol may be used in the following processes:
  • As a solvent for the lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) to generate biodiesel.
  • As an hydroxyl (OH) radical scavenger in oxygenated aqueous solutions.
  • As both reactant and solvent for the etherification of glycerol over solid acid catalysts to produce glycerol mono-buthoxy ethers (GMBEs) and glycerol di-buthoxy ethers (GDBEs).
  • As an alkylating agent for p-cresol in the presence of a heteropoly acid to form 2-tert-butyl-p-cresol and 2,6-di-tert-butyl-p-cresol as the main products.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

59.0 °F - closed cup

Flash Point(C)

15 °C - closed cup


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Single-and double-strand break formation in DNA irradiated in aqueous solution: dependence on dose and OH radical scavenger concentration.
Siddiqi MA and E. Bothe.
Radiation Research, 112(3), 449-463 (1987)
Catalytic etherification of glycerol by tert-butyl alcohol to produce oxygenated additives for diesel fuel.
Frusteri F, et al.
Applied Catalysis A: General, 367(1), 77-83 (2009)
Catalytic studies of lipase on FAME production from waste cooking palm oil in a tert-butanol system.
Halim SFA and Kamaruddin AH.
Process. Biochem., 43(12), 1436-1439 (2008)
Tert-butanol dehydration to isobutylene via reactive distillation.
Knifton JF, et al.
Catalysis Letters, 73(1), 55-57 (2001)
The photolysis of potassium peroxodisulphate in aqueous solution in the presence of tert-butanol: a simple actinometer for 254nm radiation.
Mark G, et al.
Journal of Photochemistry and Photobiology A: Chemistry, 55(2), 157-160 (1990)

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