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Fórmula lineal:
(CH3)3COH
Número CAS:
Peso molecular:
74.12
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
EC Number:
200-889-7
Beilstein/REAXYS Number:
906698
MDL number:
Assay:
≥99.5%
Grade:
anhydrous
Bp:
83 °C (lit.)
Vapor pressure:
31 mmHg ( 20 °C), 44 mmHg ( 26 °C)
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anhydrous
vapor density
2.5 (vs air)
vapor pressure
31 mmHg ( 20 °C), 44 mmHg ( 26 °C)
assay
≥99.5%
form
solid or liquid
autoignition temp.
896 °F
expl. lim.
8 %
impurities
<0.005% water
evapn. residue
<0.0003%
refractive index
n20/D 1.387 (lit.)
pH
7 (20 °C)
bp
83 °C (lit.)
mp
23-26 °C (lit.)
solubility
water: miscible
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
General description
tert-Butanol (tBA) is a tertiary alcohol. It undergoes dehydration by reactive distillation in the presence of solid acid catalyst to form isobutylene with high selectivity. Lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) has been conducted in tBA (as reaction medium) to generate biodiesel. Formation of 2-tert-butyl-p-cresol (TBC), 2,6-di-tert-butyl-p-cresol (DTBC) and tert-butyl-p-tolyl ether has been reported when p-cresol undergoes butylation by tBA in the presence of 12-tungstophosphoric acid supported on zirconia (TPA/ZrO2) catalyst. The interaction behavior of tBA on the Si (001)-(2×1) surface has been assessed by using the ab-initio density functional theory (DFT) based on pseudopotential approach.
Application
- Synthesis of Ribose - Oleic Acid Esters in the Presence- and Absence of Candida antarctica Lipase B.: This study investigates the synthesis of ribose-oleic acid esters using tert-Butanol as a solvent, both with and without the presence of Candida antarctica Lipase B. The research explores the efficiency and effectiveness of the enzyme-catalyzed process, highlighting the impact of tert-Butanol on the synthesis reaction. The findings contribute to the understanding of esterification processes in analytical chemistry and have potential applications in developing new synthetic methods (Çetinkaya et al., 2020).
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system, Respiratory system
Clase de almacenamiento
3 - Flammable liquids
wgk
WGK 1
flash_point_f
59.0 °F - closed cup
flash_point_c
15 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Lipase-catalyzed biodiesel production from soybean oil deodorizer distillate with absorbent present in tert-butanol system.
Wang L, et al.
Journal of Molecular Catalysis. B, Enzymatic, 43(1), 29-32 (2006)
Atomic and electronic properties of tert-butanol on the Si (001)-(2?1) surface.
Kaderoglu C, et al.
European Physical Journal B: Condensed Matter and Complex Systems, 76(3), 359-363 (2010)
Tert-butanol dehydration to isobutylene via reactive distillation.
Knifton JF, et al.
Catalysis Letters, 73(1), 55-57 (2001)