Conditions | Yield |
---|---|
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
tert-butylsulfinyl chloride
A
pyridine hydrochloride
B
acetone
D
tert-butyl alcohol
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In chloroform at 20℃; for 2h; Further byproducts given; | A 100% B 20% C 40% D 55% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In ethanol for 1h; Ambient temperature; | 100% |
cyclohexane
perpentene-4 oate de tertiobutyle
A
cyclohexylcyclohexane
B
butylcyclohexane
C
cyclohexyl-5 pentanolide-4
D
acetone
E
5-methyl-dihydro-furan-2-one
F
tert-butyl alcohol
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
A
methane
B
2-hydroxyethyl octyl sulfone
C
acetone
D
tert-butyl alcohol
Conditions | Yield |
---|---|
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
A
10-hydroxy-10-methylanthracen-9(10H)-one
B
tert-butyl alcohol
Conditions | Yield |
---|---|
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
A
tert.-butylhydroperoxide
C
tert-butyl alcohol
Conditions | Yield |
---|---|
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
acetic acid tert-butyl ester
A
acetic acid methyl ester
B
tert-butyl alcohol
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A 100% B n/a |
methanol
benzoic acid tert-butyl ester
A
benzoic acid methyl ester
B
tert-butyl alcohol
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A 100% B n/a |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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)
2-methylpropan-2-thiol
A
(p-cymene)osmium bis(t-butylthiolate)
B
tert-butyl alcohol
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
A
1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane
B
tert-butyl alcohol
Conditions | Yield |
---|---|
With chlorotriisopropylsilane; water; trifluoroacetic acid for 3h; Time; Reagent/catalyst; Solvent; | A 100% B 100% |
Conditions | Yield |
---|---|
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
sodium t-butanolate
A
sodium nitrate
B
Ce(OCMe3)(NO3)3(THF)2
C
tert-butyl alcohol
Conditions | Yield |
---|---|
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
tert-butyl alcohol
Conditions | Yield |
---|---|
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
2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt
A
methanol
B
formaldehyd
D
acetone
E
tert-butyl alcohol
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
tert-butylisonitrile
copper (I) tert-butoxide
B
tert-butyl alcohol
Conditions | Yield |
---|---|
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
A
(HOCO2)Cu(P(C2H5)3)3
B
tert-butyl alcohol
Conditions | Yield |
---|---|
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
diphenylsilanediol
triphenylantimony
B
water
C
tert-butyl alcohol
Conditions | Yield |
---|---|
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
benzoic acid tert-butyl ester
A
n-octyl benzoate
B
tert-butyl alcohol
Conditions | Yield |
---|---|
With cerium(IV) oxide at 180℃; for 15h; | A 98% B n/a |
Conditions | Yield |
---|---|
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
A
bicyclo[2.2.2]octan-1-ol
B
tert-butyl alcohol
Conditions | Yield |
---|---|
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
1,1-Diphenylmethanol
A
benzophenone
B
tert-butyl alcohol
Conditions | Yield |
---|---|
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
benzoic acid tert-butyl ester
A
2-octyl benzoate
B
tert-butyl alcohol
Conditions | Yield |
---|---|
With cerium(IV) oxide at 180℃; for 18h; | A 97% B n/a |
tert-butyl acetoacetate
glycerol
A
glyceryl-1,2,3-triacetoacetate
B
tert-butyl alcohol
Conditions | Yield |
---|---|
at 115℃; for 21h; Product distribution / selectivity; | A 96.6% B n/a |
tert-Butoxybis(dimethylamino)methane
3-Dimethylamino-2-(formylaminomethyl)acrylsaeure-ethylester
A
ethyl 3-(dimethylamino)acrylate
B
dimethyl amine
C
tert-butyl alcohol
Conditions | Yield |
---|---|
at 160℃; for 3h; | A 96% B n/a C n/a |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
tert-butyl alcohol
O,O'-di-tert-butyl 4,4'-methylenebis(4,1-phenylene)dicarbamate
Conditions | Yield |
---|---|
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
tert-butyl alcohol
diethyl N-(tert-butoxycarbonyl)phosphoramidate
Conditions | Yield |
---|---|
In tetrachloromethane for 1h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With trifluoroacetic acid Heating; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at -15℃; for 1h; Green chemistry; | 100% |
1,1'-carbonyldiimidazole
tert-butyl alcohol
tert-butyl 1H-imidazole-1-carboxylate
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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
tert-butyl alcohol
N-tert-butyloxycarbonylsulfamoyl chloride
Conditions | Yield |
---|---|
In dichloromethane | 100% |
In diethyl ether at -78 - 20℃; for 1h; | 95% |
In hexane at 0℃; for 1h; | 91% |
diethylphosphonoacetic acid
tert-butyl alcohol
tert-butyl diethylphosphonoacetate
Conditions | Yield |
---|---|
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
tert-butyl alcohol
2-tert-Butoxy-pyrrolidine-1-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
With acetic acid | 100% |
1-(dichlorophosphoryl)-ethenyl isocyanate
tert-butyl alcohol
tert-butyl <1-(dichlorophosphinyl)vinyl>carbamate
Conditions | Yield |
---|---|
In hexane at 0℃; for 1h; | 100% |
3-(2-vinyloxyethoxy)-1,2-propylene carbonate
tert-butyl alcohol
4-[2-(1-tert-Butoxy-ethoxy)-ethoxymethyl]-[1,3]dioxolan-2-one
Conditions | Yield |
---|---|
With heptafluorobutyric Acid at 20 - 45℃; for 5h; | 100% |
2-(pentamethyldisilanyl)-5-tert-butyl-1,4-benzoquinone
tert-butyl alcohol
5-(tert-Butoxy-dimethyl-silanyl)-2-tert-butyl-4-trimethylsilanyloxy-phenol
Conditions | Yield |
---|---|
In hexane for 0.166667h; Ambient temperature; Irradiation; | 100% |
carbonyl isocyanate isocyanide dichloride
tert-butyl alcohol
4-(Dichlormethylen)allophansaeure-tert-butylester
Conditions | Yield |
---|---|
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
tert-butyl alcohol
A
benzophenone
B
tert-Butoxydimethylsilyl-bis(trimethylsilyl)methan
Conditions | Yield |
---|---|
In benzene at 90℃; for 1.5h; Rate constant; half live time; | A n/a B 100% |
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 (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.
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
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, |
Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
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: Xn,F,T
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
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)
For occupational chemical analysis use NIOSH: Alcohols I, 1400.
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 .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View