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

200

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
GHS02,GHS07

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water soluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

19460-500ML:4.54817395325E12 + 19460-1L:4.548173953236E12 + 19460-2.5L:4.548173953243E12

jan

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