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Sigma-Aldrich

tert-Butanol

ACS reagent, ≥99.0%

Synonym(s):

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
Beilstein:
906698
EC Number:
200-889-7
MDL number:
MFCD00004464
UNSPSC Code:
12352300
PubChem Substance ID:
329755263
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C)
44 mmHg ( 26 °C)

Assay

≥99.0%

form

solid or liquid

autoignition temp.

896 °F

expl. lim.

8 %

impurities

≤0.001 meq/g Titr. acid
≤0.01% formaldehyde
≤0.1% water

evapn. residue

≤0.003%

color

APHA: ≤20

refractive index

n20/D 1.387 (lit.)

pH

7 (20 °C)

bp

83 °C (lit.)

mp

23-26 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

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 ACS grade solvent meets or exceeds the high standards of the American Chemical Society (ACS). It is ideal for most research needs and delivers replicable, publishable results.
It is used in:     
  • Routine chemical synthesis      
  • Drying & purification
  • Critical labware cleaning

Application

tert-Butanol can be used as a solvent in the oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid using Cu-MnO2 as a catalyst and tert-butyl hydroperoxide (TBHP) as an oxidant. Mixture of tert-butanol and methanol solvent system is used in the synthesis of glycerol dioleates (GDO) via lipase-catalyzed esterification of glycerol with oleic acid.

Pictograms

FlameExclamation mark
GHS02,GHS07

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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