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Merck
CN

19460

tert-Butanol

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

Synonym(s):

TBA, 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol

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About This Item

Linear Formula:
(CH3)3COH
CAS Number:
Molecular Weight:
74.12
UNSPSC Code:
12191601
NACRES:
NA.21
PubChem Substance ID:
EC Number:
200-889-7
Beilstein/REAXYS Number:
906698
MDL number:
Assay:
≥99.7% (GC)
Technique(s):
GC/GC: suitable
Bp:
83 °C (lit.)
Vapor pressure:
31 mmHg ( 20 °C), 44 mmHg ( 26 °C)
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Quality Level

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

grade

ACS reagent, puriss. p.a.

assay

≥99.7% (GC)

form

solid or liquid

autoignition temp.

896 °F

expl. lim.

8 %

technique(s)

GC/GC: suitable

impurities

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

evapn. residue

≤0.001%

refractive index

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

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 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.
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.


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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

59.0 °F - closed cup

flash_point_c

15 °C - closed cup

Regulatory Information

危险化学品

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



Global Trade Item Number

SKUGTIN
19460-500ML04061838761330
19460-1L04061838761316
19460-2.5L04061838761323