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24127 Sigma-Aldrich

tert-Butanol

≥99% (GC)

Synonym: 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol

  • CAS Number 75-65-0

  • Linear Formula (CH3)3COH

  • Molecular Weight 74.12

  •  Beilstein/REAXYS Number 906698

  •  EC Number 200-889-7

  •  MDL number MFCD00004464

  •  PubChem Substance ID 329752576

  •  NACRES NA.21

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Properties

Related Categories Aluminum Bottles, Solvent Bottles, Solvent Packaging Options, Solvents
Quality Level   200
vapor density   2.5 (vs air)
vapor pressure   31 mmHg ( 20 °C)
  44 mmHg ( 26 °C)
assay   ≥99% (GC)
form   liquid
autoignition temp.   896 °F
expl. lim.   8 %
impurities   ≤0.001% free acid (as C3H7COOH)
  ≤0.001% non-volatile matter
  ≤0.1% water (Karl Fischer)
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

Description

General description

tert-Butanol is a tertiary alcohol. Aqueous potassium peroxodisulfate undergoes photolysis in the presence of tert-butanol on irradiation with 254nm light at 20°C to afford hydrogen sulfate.

Application

tert-Butanol may be employed for the preparation of carbohydrate fatty acid esters. It may be employed as a reaction medium during the production of fatty acid methyl ester (FAME) from waste cooking palm oil (WCPO) by lipase-catalyzed reaction.

It can be used for the butylation of p-cresol in the presence of 12-tungstophosphoric acid supported on zirconia catalyst. 2-tert-Butyl-p-cresol (TBC), 2,6-di-tert-butyl-p-cresol (DTBC) and tert-butyl-p-tolyl ether (ether) are formed as butylation reaction products.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN1120 - class 3 - PG 2 - Butanols
WGK Germany 
WGK 1
RTECS 
EO1925000
Flash Point(F) 
59.0 °F - closed cup
Flash Point(C) 
15 °C - closed cup
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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