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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/REAXYS Number:
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
360538RTC000082B85927
vibrant-m

19460

tert-Butanol

Essential Grade
vibrant-m

360538

tert-Butanol

-
vibrant-m

RTC000082

tert-Butanol

-
vibrant-m

B85927

tert-Butanol

-
assay

≥99.7% (GC)

assay

≥99.0%

assay

-

assay

≥99.3%

Quality Level

200

Quality Level

200

Quality Level

300

Quality Level

100

cation traces

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

cation traces

-

cation traces

-

cation traces

-

density

0.775 g/mL at 25 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

vapor density

2.5 (vs air)

vapor density

2.5 (vs air)

vapor density

2.5 (vs air)

vapor density

2.5 (vs air)

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

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

59.0 °F - closed cup

flash_point_c

15 °C - closed cup


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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)
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 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)
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)
Tert-butanol dehydration to isobutylene via reactive distillation.
Knifton JF, et al.
Catalysis Letters, 73(1), 55-57 (2001)

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