Product Name

  • Name

    tert-Butyl alcohol

  • EINECS 200-889-7
  • CAS No. 75-65-0
  • Article Data739
  • CAS DataBase
  • Density 0.805 g/cm3
  • Solubility soluble in water
  • Melting Point 23-26 °C(lit.)
  • Formula C4H10O
  • Boiling Point 84.603 °C at 760 mmHg
  • Molecular Weight 74.1228
  • Flash Point 11.667 °C
  • Transport Information UN 1120 3/PG 3
  • Appearance clear colourless liquid after melting
  • Safety 9-16-45-36/37-7
  • Risk Codes 11-20-39/23/24/25-23/24/25
  • Molecular Structure Molecular Structure of 75-65-0 (tert-Butyl alcohol)
  • Hazard Symbols HarmfulXn, FlammableF, ToxicT
  • Synonyms tert-Butylalcohol (8CI);1,1-Dimethylethanol;2-Methyl-2-propanol;Trimethylcarbinol;Trimethylmethanol;t-Butanol;
  • PSA 20.23000
  • LogP 0.77720

Synthetic route

tertiary butyl chloride
507-20-0

tertiary butyl chloride

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With water at 20℃; for 1.5h;100%
With water
With water at 1℃; Rate constant; Thermodynamic data; solvolysis of tertiary, secondary, and primary substrates, thermodynamic data, temperature dependence;
pyridine
110-86-1

pyridine

tert-butylsulfinyl chloride
31562-43-3

tert-butylsulfinyl chloride

A

pyridine hydrochloride
628-13-7

pyridine hydrochloride

B

acetone
67-64-1

acetone

C

pyridinium tert-butylsulfonate

pyridinium tert-butylsulfonate

D

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With tert.-butylhydroperoxide In chloroform at 20℃; for 2h; Further byproducts given;A 100%
B 20%
C 40%
D 55%
2-tert-butoxytetrahydrofuran
1927-59-9

2-tert-butoxytetrahydrofuran

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In ethanol for 1h; Ambient temperature;100%
cyclohexane
110-82-7

cyclohexane

perpentene-4 oate de tertiobutyle
84210-61-7

perpentene-4 oate de tertiobutyle

A

cyclohexylcyclohexane
92-51-3

cyclohexylcyclohexane

B

butylcyclohexane
1678-93-9

butylcyclohexane

C

cyclohexyl-5 pentanolide-4
96009-79-9

cyclohexyl-5 pentanolide-4

D

acetone
67-64-1

acetone

E

5-methyl-dihydro-furan-2-one
108-29-2

5-methyl-dihydro-furan-2-one

F

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
at 120℃; for 4h; Product distribution; Mechanism; different ratios of reactant, reactants, reaction times and temperatures;A 5%
B 5%
C 35%
D n/a
E 1%
F 100%
benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

A

benzoic acid
65-85-0

benzoic acid

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With aluminum oxide; potassium hydroxide In diethyl ether for 21h; Product distribution; Ambient temperature; other solvent;A 100%
B 80%
2-(octylsulfonyl)ethyl tert-butyl peroxide
83073-73-8

2-(octylsulfonyl)ethyl tert-butyl peroxide

A

methane
34557-54-5

methane

B

2-hydroxyethyl octyl sulfone
20466-47-1

2-hydroxyethyl octyl sulfone

C

acetone
67-64-1

acetone

D

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In various solvent(s) at 145℃; Rate constant; Thermodynamic data; E(act.);A n/a
B 100%
C n/a
D n/a
9-t-butyl-10-methyl-9,10-endotrioxy-9,10-dihydroanthracene
86543-48-8

9-t-butyl-10-methyl-9,10-endotrioxy-9,10-dihydroanthracene

A

10-hydroxy-10-methylanthracen-9(10H)-one
17104-31-3

10-hydroxy-10-methylanthracen-9(10H)-one

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

C

VO(acac)2OH

VO(acac)2OH

Conditions
ConditionsYield
With bis(acetylacetonate)oxovanadium for 1h; Ambient temperature; 4 equiv. reagents;A 100%
B 61%
C n/a
9-tert-butyl-10-methyl-9,10-dihydroacridine
123525-58-6

9-tert-butyl-10-methyl-9,10-dihydroacridine

A

tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

B

10-methylacridanium

10-methylacridanium

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With 9,10-Dicyanoanthracene; oxygen; trifluoroacetic acid; scandium tris(trifluoromethanesulfonate) In [D3]acetonitrile at 24.85℃; for 1h; Irradiation;A n/a
B 100%
C n/a
methanol
67-56-1

methanol

acetic acid tert-butyl ester
540-88-5

acetic acid tert-butyl ester

A

acetic acid methyl ester
79-20-9

acetic acid methyl ester

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A 100%
B n/a
methanol
67-56-1

methanol

benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

A

benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A 100%
B n/a
titanium(IV) tetrabutoxide

titanium(IV) tetrabutoxide

A

titanium(IV) oxide

titanium(IV) oxide

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In gas byproducts: (CH3)2CCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 700°C; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;A n/a
B 100%
In gas byproducts: (CH3)2CCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 550°C; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;A n/a
B 100%
titanium isopropoxide
872802-13-6

titanium isopropoxide

A

2,2-dimethyl-propanol-1
75-84-3

2,2-dimethyl-propanol-1

B

titanium(IV) oxide

titanium(IV) oxide

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In gas byproducts: (CH3)2CCHCH3, CH3CH2C(CH3)CH2; decomposition at a pressure of ca. 0.01 mm of Hg at 550°C; further compound: H2 was obtained with a yield of <0.5%; dineopentane, neopentane and/or 1,1-dimethylcyclopropane were not obtained; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;A 100%
B n/a
C <1
(p-cymene)osmium bis(t-butyloxide)
134654-70-9

(p-cymene)osmium bis(t-butyloxide)

2-methylpropan-2-thiol
75-66-1

2-methylpropan-2-thiol

A

(p-cymene)osmium bis(t-butylthiolate)
134654-72-1

(p-cymene)osmium bis(t-butylthiolate)

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In benzene-d6 soln. of CymOs(O-t-Bu)2 in C6D6 is degassed, t-BuSH is added at -196°C; (1)H-NMR;A 92%
B 100%
ytterbium di-tert-butyl dicarbonate

ytterbium di-tert-butyl dicarbonate

A

ytterbium hydroxide

ytterbium hydroxide

B

carbon dioxide
124-38-9

carbon dioxide

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With water In pentane addn. of a mixture (1:3) of water and pentane under Ar at room temperature; removing solvent and volatile compounds (t-BuOH) by vac. condensation;;A 93.2%
B 100%
C 100%
1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid
137076-54-1

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid

A

1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane
60239-18-1

1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With chlorotriisopropylsilane; water; trifluoroacetic acid for 3h; Time; Reagent/catalyst; Solvent;A 100%
B 100%
(3-(tert-butylperoxy)pentane-3yl)benzene

(3-(tert-butylperoxy)pentane-3yl)benzene

A

1-phenyl-propan-1-one
93-55-0

1-phenyl-propan-1-one

B

acetone
67-64-1

acetone

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With air In [D3]acetonitrile at 22℃; for 1h; UV-irradiation; Inert atmosphere;A 100%
B 41.9%
C 25.9%
ammonium cerium (IV) nitrate
16774-21-3

ammonium cerium (IV) nitrate

sodium t-butanolate
865-48-5

sodium t-butanolate

A

sodium nitrate
7631-99-4

sodium nitrate

B

Ce(OCMe3)(NO3)3(THF)2
121314-35-0

Ce(OCMe3)(NO3)3(THF)2

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In tetrahydrofuran byproducts: NH3; exclusion of air and water, stirred for 2 h; filtered (NaNO3), removal of solvent from filtrate, extn. (toluene), removal of solvent; elem. anal.;A 99%
B 56%
C n/a
tert-butoxytrimethylsilane
13058-24-7

tert-butoxytrimethylsilane

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0833333h; Green chemistry;99%
With (NH4)8[CeW10O36]*20H2O In acetonitrile at 20℃; for 0.5h;80 %Chromat.
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt
30931-67-0

2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt

A

methanol
67-56-1

methanol

B

formaldehyd
50-00-0

formaldehyd

C

C18H18N4O6S4(1+)*2H3N

C18H18N4O6S4(1+)*2H3N

D

acetone
67-64-1

acetone

E

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
Fe(III)T4MPyP In water at 30℃; Rate constant; Kinetics; Mechanism; the catalyst Fe(III)T4MPyP is 5,10,15,20-tetra(N-methyl-4-pyridyl)-porphyrinatoiron(III) pentachloride; pH 9.2; investigation of the dependence of velocity constant on ionic strength, pH and t-butyl hydroperoxide concentration;A 3%
B n/a
C 72%
D 4%
E 98%
tert-butyl methyl ether
1634-04-4

tert-butyl methyl ether

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With methyltrifluoromethyldioxirane In tetrachloromethane at 0℃; for 0.166667h;98%
With oxygen; 3,3-dimethyldioxirane In acetone at 25℃; Kinetics;60 % Chromat.
With hydrogenchloride at 60℃; for 5h; pH=0; Kinetics;
With octane at 30℃; for 60h; Kinetics; Sealed tube;
(HOCO2)Cu((CH3)3CNC)3
73202-89-8

(HOCO2)Cu((CH3)3CNC)3

tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

copper (I) tert-butoxide
35342-67-7, 35342-68-8

copper (I) tert-butoxide

A

2Cu(1+)*CO3(2-)*99((CH3)3CNC) = Cu2CO3*99((CH3)3CNC)

2Cu(1+)*CO3(2-)*99((CH3)3CNC) = Cu2CO3*99((CH3)3CNC)

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In tetrahydrofuran N2; 0°C; equiv. amts. in presence of 3 equiv. (CH3)3CNC; GLC;A n/a
B 98%
((CH3)3COCO2)Cu(P(C2H5)3)3
72950-99-3

((CH3)3COCO2)Cu(P(C2H5)3)3

A

(HOCO2)Cu(P(C2H5)3)3
73233-55-3

(HOCO2)Cu(P(C2H5)3)3

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With water In pentane N2; mixt. of ((CH3)3CO)CO2Cu(P(C2H5)3)3 and 1.2 equiv. of H2O stirred for 6 h at 0°C; solvent evapd. in vacuo; crystd. (pentane, -78°C); elem. anal. GLC;A n/a
B 98%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

diphenylsilanediol
947-42-2

diphenylsilanediol

triphenylantimony
603-36-1

triphenylantimony

A

Sb2O4Si2(C6H5)10

Sb2O4Si2(C6H5)10

B

water
7732-18-5

water

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In 1,4-dioxane dissoln., cooling (5°C), soln. of peroxo compd. addn. under stirring, stirring (2 h), volatile product sepn. in cooled trap (reduced pressure); elem. anal.;A 98%
B 89%
C 96%
octanol
111-87-5

octanol

benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

A

n-octyl benzoate
94-50-8

n-octyl benzoate

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With cerium(IV) oxide at 180℃; for 15h;A 98%
B n/a
carbon dioxide
124-38-9

carbon dioxide

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With FeAl2O3; water under 15.0015 Torr; for 2h; Pressure; Time; Heating;97.5%
1-Bicyclo[2.2.1]hept-1-yl-1-bicyclo[2.2.2]oct-1-yl-2,2-dimethyl-propan-1-ol
89849-37-6

1-Bicyclo[2.2.1]hept-1-yl-1-bicyclo[2.2.2]oct-1-yl-2,2-dimethyl-propan-1-ol

A

bicyclo[2.2.2]octan-1-ol
20534-58-1

bicyclo[2.2.2]octan-1-ol

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With n-butyllithium In N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at 20℃; Product distribution;A 2.6%
B 97.4%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

1,1-Diphenylmethanol
91-01-0

1,1-Diphenylmethanol

A

benzophenone
119-61-9

benzophenone

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With 4 A molecular sieve In tetrachloromethane; 2,2,4-trimethylpentane at 50℃; for 156h; Mechanism; other saturated and unsaturated alcohols, various reaction time, other reagents: molecular sieves 3A, molecular sieves 13X, molecular sieves absence, microwave irradiation presence or absence;A 97%
B n/a
rac-octan-2-ol
4128-31-8

rac-octan-2-ol

benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

A

2-octyl benzoate
6938-51-8

2-octyl benzoate

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With cerium(IV) oxide at 180℃; for 18h;A 97%
B n/a
tert-butyl acetoacetate
1694-31-1

tert-butyl acetoacetate

glycerol
56-81-5

glycerol

A

glyceryl-1,2,3-triacetoacetate
6079-98-7

glyceryl-1,2,3-triacetoacetate

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
at 115℃; for 21h; Product distribution / selectivity;A 96.6%
B n/a
tert-Butoxybis(dimethylamino)methane
5815-08-7

tert-Butoxybis(dimethylamino)methane

3-Dimethylamino-2-(formylaminomethyl)acrylsaeure-ethylester
74119-34-9

3-Dimethylamino-2-(formylaminomethyl)acrylsaeure-ethylester

A

ethyl 3-(dimethylamino)acrylate
924-99-2, 1117-37-9, 114894-59-6

ethyl 3-(dimethylamino)acrylate

B

dimethyl amine
124-40-3

dimethyl amine

C

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
at 160℃; for 3h;A 96%
B n/a
C n/a
acetic anhydride
108-24-7

acetic anhydride

tert-butyl alcohol
75-65-0

tert-butyl alcohol

acetic acid tert-butyl ester
540-88-5

acetic acid tert-butyl ester

Conditions
ConditionsYield
at 200℃; under 22502.3 Torr; for 0.166667h; Product distribution / selectivity;100%
With Cp2Ti(OSO2C8F17)2 at 100℃; for 0.0833333h; Neat (no solvent);99%
With bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.166667h;98%
acetonitrile
75-05-8

acetonitrile

tert-butyl alcohol
75-65-0

tert-butyl alcohol

N-tert-butylacetamide
762-84-5

N-tert-butylacetamide

Conditions
ConditionsYield
With Selectfluor; Diphenylphosphine oxide at 60℃; for 24h; Ritter Amidation;100%
With 1-methyl-3-(4-sulfonylbutyl)-1H-imidazol-3-ium trifluoromethanesulfonate at 70℃; for 8h; Ritter reaction; Inert atmosphere; Ionic liquid;95%
With HClO4-functionalized silica-coated magnetic nanoparticles [γ-Fe2O3@SiO2-HClO4] at 20℃; for 4h; Ritter reaction; Neat (no solvent);94%
tert-butyl alcohol
75-65-0

tert-butyl alcohol

tertiary butyl chloride
507-20-0

tertiary butyl chloride

Conditions
ConditionsYield
With bismuth(III) chloride In tetrachloromethane at 25℃; for 0.0833333h;100%
With phenylphosphorus tetrachloride In chloroform at 50℃; for 12h;97%
With acetic acid; calcium chloride at 55℃; for 8h; Reagent/catalyst; Temperature;96.2%
tert-butyl alcohol
75-65-0

tert-butyl alcohol

isobutene
115-11-7

isobutene

Conditions
ConditionsYield
With air oxidized carbon nanotubes at 120℃; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Inert atmosphere; chemoselective reaction;100%
With aminosulfonic acid In acetic anhydride at 80℃; for 0.5h; Dehydration;98%
niobium silicate at 250℃;98.9%
di(4-isocyanatophenyl)methane
101-68-8

di(4-isocyanatophenyl)methane

tert-butyl alcohol
75-65-0

tert-butyl alcohol

O,O'-di-tert-butyl 4,4'-methylenebis(4,1-phenylene)dicarbamate
59255-81-1

O,O'-di-tert-butyl 4,4'-methylenebis(4,1-phenylene)dicarbamate

Conditions
ConditionsYield
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 1h; Inert atmosphere;100%
In toluene at 85℃; for 3h; Inert atmosphere;96%
In toluene at 85℃; for 3h; Inert atmosphere;96%
diethoxyphosphoryl isocyanate
20039-33-2

diethoxyphosphoryl isocyanate

tert-butyl alcohol
75-65-0

tert-butyl alcohol

diethyl N-(tert-butoxycarbonyl)phosphoramidate
85232-02-6

diethyl N-(tert-butoxycarbonyl)phosphoramidate

Conditions
ConditionsYield
In tetrachloromethane for 1h; Ambient temperature;100%
9H-carbazole
86-74-8

9H-carbazole

tert-butyl alcohol
75-65-0

tert-butyl alcohol

1,3,6,8-tetra-tert-butyl-9H-carbazole
34601-54-2

1,3,6,8-tetra-tert-butyl-9H-carbazole

Conditions
ConditionsYield
With trifluoroacetic acid Heating;100%
methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl mesylate
16427-41-1

tert-butyl mesylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at -15℃; for 1h; Green chemistry;100%
1,1'-carbonyldiimidazole
530-62-1

1,1'-carbonyldiimidazole

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl 1H-imidazole-1-carboxylate
49761-82-2

tert-butyl 1H-imidazole-1-carboxylate

Conditions
ConditionsYield
potassium hydroxide In toluene at 60℃;100%
In toluene at 20 - 60℃; for 6h; Inert atmosphere;95%
With potassium hydroxide In toluene at 60℃; for 4h;92%
benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

tert-butyl alcohol
75-65-0

tert-butyl alcohol

benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane for 18h; Ambient temperature;100%
With (1-ethyl-3-methylimidazol-2-ylidene)silver(I) chloride In toluene at 70℃; for 48h;
isocyanate de chlorosulfonyle
1189-71-5

isocyanate de chlorosulfonyle

tert-butyl alcohol
75-65-0

tert-butyl alcohol

N-tert-butyloxycarbonylsulfamoyl chloride
147000-89-3

N-tert-butyloxycarbonylsulfamoyl chloride

Conditions
ConditionsYield
In dichloromethane100%
In diethyl ether at -78 - 20℃; for 1h;95%
In hexane at 0℃; for 1h;91%
diethylphosphonoacetic acid
3095-95-2

diethylphosphonoacetic acid

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl diethylphosphonoacetate
27784-76-5

tert-butyl diethylphosphonoacetate

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane at 25℃; for 0.25h;100%
With dicyclohexyl-carbodiimide In dichloromethane at 25℃; for 0.25h; Product distribution; Further Variations:; Reaction partners; Reagents; Solvents;100%
With sulfuric acid In various solvent(s) for 12h;90%
With dicyclohexyl-carbodiimide In acetonitrile at 25℃; for 1h;
ethyl 2-hydroxypyrrolidine-1-carboxylate
69352-25-6

ethyl 2-hydroxypyrrolidine-1-carboxylate

tert-butyl alcohol
75-65-0

tert-butyl alcohol

2-tert-Butoxy-pyrrolidine-1-carboxylic acid ethyl ester
110910-78-6

2-tert-Butoxy-pyrrolidine-1-carboxylic acid ethyl ester

Conditions
ConditionsYield
With acetic acid100%
1-(dichlorophosphoryl)-ethenyl isocyanate
73984-98-2

1-(dichlorophosphoryl)-ethenyl isocyanate

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl <1-(dichlorophosphinyl)vinyl>carbamate
73993-27-8

tert-butyl <1-(dichlorophosphinyl)vinyl>carbamate

Conditions
ConditionsYield
In hexane at 0℃; for 1h;100%
3-(2-vinyloxyethoxy)-1,2-propylene carbonate
54107-24-3

3-(2-vinyloxyethoxy)-1,2-propylene carbonate

tert-butyl alcohol
75-65-0

tert-butyl alcohol

4-[2-(1-tert-Butoxy-ethoxy)-ethoxymethyl]-[1,3]dioxolan-2-one
126867-32-1

4-[2-(1-tert-Butoxy-ethoxy)-ethoxymethyl]-[1,3]dioxolan-2-one

Conditions
ConditionsYield
With heptafluorobutyric Acid at 20 - 45℃; for 5h;100%
2-(pentamethyldisilanyl)-5-tert-butyl-1,4-benzoquinone
131904-60-4

2-(pentamethyldisilanyl)-5-tert-butyl-1,4-benzoquinone

tert-butyl alcohol
75-65-0

tert-butyl alcohol

5-(tert-Butoxy-dimethyl-silanyl)-2-tert-butyl-4-trimethylsilanyloxy-phenol
131904-67-1

5-(tert-Butoxy-dimethyl-silanyl)-2-tert-butyl-4-trimethylsilanyloxy-phenol

Conditions
ConditionsYield
In hexane for 0.166667h; Ambient temperature; Irradiation;100%
carbonyl isocyanate isocyanide dichloride
78476-62-7

carbonyl isocyanate isocyanide dichloride

tert-butyl alcohol
75-65-0

tert-butyl alcohol

4-(Dichlormethylen)allophansaeure-tert-butylester
78476-68-3

4-(Dichlormethylen)allophansaeure-tert-butylester

Conditions
ConditionsYield
In Petroleum ether; pentane at 0℃; for 2h;100%
4,4a-dihydro-3,3-dimethyl-1-phenyl-4,4-bis(trimethylsilyl)-3H-2-oxa-3-silanaphthaline
80431-42-1

4,4a-dihydro-3,3-dimethyl-1-phenyl-4,4-bis(trimethylsilyl)-3H-2-oxa-3-silanaphthaline

tert-butyl alcohol
75-65-0

tert-butyl alcohol

A

benzophenone
119-61-9

benzophenone

B

tert-Butoxydimethylsilyl-bis(trimethylsilyl)methan
87161-31-7

tert-Butoxydimethylsilyl-bis(trimethylsilyl)methan

Conditions
ConditionsYield
In benzene at 90℃; for 1.5h; Rate constant; half live time;A n/a
B 100%

tert-Butanol Chemical Properties

Product Name: tert-Butanol (CAS NO.75-65-0)

Molecular Formula: C4H10O
Molecular Weight: 74.12g/mol
Mol File: 75-65-0.mol
EINECS: 200-751-6
Melting Point: 23-26 °C(lit.)
Boiling point: 117.7 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 35 °C
Density: 0.805 g/cm3
Refractive index: n20/D 1.399(lit.)
Water Solubility: soluble
Stability: Stable. Very flammable. Incompatible with strong oxidizing agents, copper, copper alloys, alkali metals, aluminium.
Index of Refraction: 1.395 
Molar Refractivity: 22.11 cm3 
Molar Volume: 92 cm3 
Surface Tension: 26 dyne/cm
Enthalpy of Vaporization: 43.29 kJ/mol
Vapour Pressure: 2 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of tert-Butanol (CAS NO.75-65-0):
  IUPAC Name: 2-methylpropan-2-ol
  Canonical SMILES: CC(C)(C)O
  InChI: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 
  InChIKey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
Product Categories: Organics

tert-Butanol Uses

 tert-Butanol (CAS NO.75-65-0) is used as a solvent, as a denaturant for ethanol,  as an octane booster for gasoline, as an ingredient in paint removers,as an oxygenate gasoline additive, and as an intermediate in the synthesis of other chemical commodities such as MTBE, TBHP, ETBE, other flavors and perfumes.

tert-Butanol Production

t-Butyl alcohol (75-65-0) is produced by the hydration of iso-butene. The favored tertiary carbocation intermediate limits the possible alcohols produced to only this one.
           (CH3)2C=CH2 → (CH3)3COH

tert-Butanol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 12gm/kg (12000mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
guinea pig LD50 skin > 10mL/kg (10mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0556680,
mouse LD50 intraperitoneal 399mg/kg (399mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 intravenous 1538mg/kg (1538mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
rabbit LD50 oral 3559mg/kg (3559mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

CARDIAC: PULSE RATE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0572351,
rat LC50 inhalation > 10000ppm/4H (10000ppm) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI
National Technical Information Service. Vol. OTS0572351,
rat LD50 oral 2743mg/kg (2743mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0572351,

tert-Butanol Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

tert-Butanol Safety Profile

Moderately toxic by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. Dangerous fire hazard when exposed to heat or flame. Moderately explosive in the form of vapor when exposed to flame. Ignites on contact with potassium-sodium alloys. To fight fire, use alcohol foam, CO2, dry chemical. Incompatible with oxidizing materials, H2O2. See also n-BUTYL ALCOHOL and ALCOHOLS.
Safety Information of tert-Butanol (CAS NO.75-65-0):
Hazard Codes: XnHarmful,FFlammable,TToxic
Risk Statements: 11-20-39/23/24/25-23/24/25  
R11: Highly flammable. 
R20: Harmful by inhalation. 
R39: Danger of very serious irreversible effects. 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 9-16-45-36/37-7
S9: Keep container in a well-ventilated place. 
S16: Keep away from sources of ignition. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37: Wear suitable protective clothing and gloves. 
S7: Keep container tightly closed.
RIDADR: UN 1120 3/PG 3
WGK Germany: 1
RTECS: EO1925000
HazardClass: 3
PackingGroup: II
HS Code: 29051410

tert-Butanol Standards and Recommendations

OSHA PEL: TWA 100 ppm; STEL 150 ppm
ACGIH TLV: TWA 100 ppm; Not Classifiable as a Human Carcinogen
DFG MAK: 100 ppm (310 mg/m3)

tert-Butanol Analytical Methods

For occupational chemical analysis use NIOSH: Alcohols I, 1400.

tert-Butanol Specification

 tert-Butanol , its CAS NO. is 75-65-0, the synonyms are 1,1-Dimethylethanol ; 2-Methyl-2-propanol ; 2-Propanol, 2-methyl- ; Alcool butylique tertiaire ; Butanol tertiaire ; Trimethyl carbinol ; Trimethyl methanol ; Trimethylmethanol ; t-Butanol ; t-Butyl alcohol ; t-Butyl hydroxide ; tert-Butyl alcohol ; tertiary-Butanol ; Methyl-2-propanol .

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