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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:
75-65-0
Molecular Weight:
74.12
Beilstein:
906698
EC Number:
200-889-7
MDL number:
MFCD00004464
UNSPSC Code:
12191601
PubChem Substance ID:
329751880
NACRES:
NA.21

grade

ACS reagent
puriss. p.a.

Quality Level

200

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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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
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H332,H335,H336

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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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)
Lipase-catalysed synthesis of glucose fatty acid esters in tert-butanol.
Degn P, et al.
Biotechnology Letters, 21(4), 275-280 (1999)
Tert-butanol dehydration to isobutylene via reactive distillation.
Knifton JF, et al.
Catalysis Letters, 73(1), 55-57 (2001)
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