tert-Amylbenzene supplier | CasNO.2049-95-8

Name
tert-Amylbenzene
EINECS 218-076-0
CAS No. 2049-95-8
Article Data78
CAS DataBase
Density 0.858 g/cm³
Solubility 10.5mg/L(25 oC)
Melting Point -44.72°C (estimate)
Formula C₁₁H₁₆
Boiling Point 190.1 °C at 760 mmHg
Molecular Weight 148.248
Flash Point 59.3 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,tert-pentyl- (6CI,7CI,8CI);(1,1-Dimethylpropyl)benzene;2-Methyl-2-phenylbutane;Hizol P;NSC 4025;Benzene,(1,1-dimethylpropyl)-;tert-Pentylbenzene;
PSA 0.00000
LogP 3.37420

Synthetic route

: 75-85-4
tert-Amyl alcohol

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With aluminum (III) chloride; iron(III) chloride at 0 - 5℃; for 6h; Large scale;	99.4%
With AlCl2
With iron(III) chloride
With aluminium trichloride

: 594-36-5
2-methyl-2-butylchloride

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With iron(III) chloride at 5℃; under 187.519 Torr; for 2.5h; Reagent/catalyst; Pressure;	98%
With boron trifluoride
With zirconium(IV) chloride

: 98-82-8
Isopropylbenzene

: 74-85-1
ethene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
at 160℃; for 1.5h; Inert atmosphere; Autoclave;	37.8%

: 98-82-8
Isopropylbenzene

: 74-85-1
ethene

A: 4912-92-9
1,1-dimethylindan

B: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
reagiert analog wie das Toluol;
With anthracene; potassium at 190 - 245℃;

...Expand

: 98-82-8
Isopropylbenzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With potassium graphite; ethene at 200℃; under 36775.4 Torr;
With ethene; anthracene; sodium at 200 - 225℃; under 22065.2 Torr;
With ethene; anthracene; potassium at 200 - 225℃; under 22065.2 Torr;
With ethene; n-pentylsodium at 140℃; under 22065.2 - 29420.3 Torr;
With ethene; sodium hydride at 250℃; under 29420.3 - 44130.5 Torr;

: 934-53-2
cumenyl chloride

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With diethyl ether; ethylmagnesium bromide

: 61208-95-5
(1-methyl-cyclobutyl)-cyclohexane

A: 2719-52-0
2-phenylpentane

B: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
at 250℃; Leiten ueber Platin-Aluminiumoxyd;

: 563-46-2
2-Methyl-1-butene

: 71-43-2
benzene

A: 2049-95-8
tery-amylbenzene

B: 3373-10-2
1,4-di-tert-pentyl-benzene

Conditions

Conditions	Yield
With sulfuric acid
With hydrogen fluoride
With sulfuric acid
With hydrogen fluoride

...Expand

: 563-45-1
3-Methyl-1-butene

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With boron trifluoride
With aluminium chloride hydrogen chloride
With hydrogen fluoride
With aluminium trichloride

: 75-85-4
tert-Amyl alcohol

: 71-43-2
benzene

A: 2049-95-8
tery-amylbenzene

B: 3373-10-2
1,4-di-tert-pentyl-benzene

Conditions

Conditions	Yield
With AlCl2

...Expand

: 513-35-9
2-methyl-but-2-ene

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With aluminium chloride hydrogen chloride
With hydrogen fluoride
With aluminium trichloride
With boron trifluoride

: 513-35-9
2-methyl-but-2-ene

: 71-43-2
benzene

A: 2049-95-8
tery-amylbenzene

B: 3373-10-2
1,4-di-tert-pentyl-benzene

Conditions

Conditions	Yield
With sulfuric acid
With hydrogen fluoride
With sulfuric acid
With hydrogen fluoride

...Expand

: 594-36-5
2-methyl-2-butylchloride

: 71-43-2
benzene

A: 2049-95-8
tery-amylbenzene

B: 3373-10-2
1,4-di-tert-pentyl-benzene

Conditions

Conditions	Yield
With hydrogen fluoride at 0℃;

...Expand

: 544-01-4
isopentyl ether

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With boron trifluoride at 150℃;

: 544-01-4
isopentyl ether

: 71-43-2
benzene

A: 2049-95-8
tery-amylbenzene

B: 3373-10-2
1,4-di-tert-pentyl-benzene

Conditions

Conditions	Yield
With boron trifluoride at 150℃; under 9561.6 Torr;

...Expand

: 123-51-3
i-Amyl alcohol

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With sulfuric acid at 65℃;
With hydrogenchloride; zinc(II) chloride at 140 - 160℃;

: 507-36-8
2-bromo-2-methylbutane

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With aluminium trichloride

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

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With sulfuric acid at 65℃;
With boron trifluoride at 60℃;

: 598-61-8
methyl-cyclobutane

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With sulfuric acid at 2 - 4℃;

: 3373-10-2
1,4-di-tert-pentyl-benzene

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With iron(III) chloride

: 1459-04-7
3-chloro-1,1-dimethyl-1-phenylpropane

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With magnesium In diethyl ether
Multi-step reaction with 2 steps 1: (i) Mg, Et2O, (ii) aq. H2SO4 2: 1,1-dimethyl-propyl hydroperoxide View Scheme

: 120384-23-8
4-Methyl-4-phenyl-1-pentanale

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With tert-amyl hydroperoxide

: 75-24-1
trimethylaluminum

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

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
bis(acetylacetonate)nickel(II) In toluene

: 74-88-4
methyl iodide

: 98-83-9
isopropenylbenzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With lithium In tetrahydrofuran

: 616-13-7
1-chloro-2-methylbutane

: 71-43-2
benzene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With aluminium trichloride; nitromethane at 25℃; for 0.25h;

: 18321-36-3
3-methyl-3-phenylbut-1-ene

: 2049-95-8
tery-amylbenzene

Conditions

Conditions	Yield
With hydrogen; triphenylphosphine; In tetrahydrofuran at 40.8℃; Rate constant; Mechanism; further rhodacarborane catalyst; also in the presence of bases, D2O, radical scavengers; labelled experiments;

: 4481-30-5
2-methyl-3-phenylbutane

: 563-46-2
2-Methyl-1-butene

A: 595-37-9
2,2-dimethylbutyric acid

B: 78-78-4
methylbutane

C: 2049-95-8
tery-amylbenzene

D: 71-43-2
benzene

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; carbon monoxide In tetrachloromethane under 120 Torr; for 3h; Ambient temperature; Further byproducts given. Title compound not separated from byproducts;	A 4 % Chromat. B n/a C n/a D n/a

...Expand

: 201230-82-2
carbon monoxide

: 563-46-2
2-Methyl-1-butene

: 71-43-2
benzene

A: 10474-35-8
2,2,3-trimethylindan-1-one

B: 2049-95-8
tery-amylbenzene

C: 4481-30-5
2-methyl-3-phenylbutane

D: (E)-3,3,6-Trimethyl-oct-5-en-4-one

E: (E)-3,3,6-Trimethyl-oct-6-en-4-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In tetrachloromethane under 115 Torr; for 3h; Mechanism; Product distribution; Ambient temperature;	A 38 % Chromat. B n/a C n/a D n/a E n/a

...Expand

: 563-46-2
2-Methyl-1-butene

: 71-43-2
benzene

A: 2049-95-8
tery-amylbenzene

B: 4481-30-5
2-methyl-3-phenylbutane

C: (E)-3,3,6-Trimethyl-oct-5-en-4-one

D: (E)-3,3,6-Trimethyl-oct-6-en-4-one

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; carbon monoxide In tetrachloromethane under 87400.1 Torr; for 3h; Ambient temperature; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 563-80-4
3-methyl-butan-2-one

: 71-43-2
benzene

A: 253185-03-4, 253185-04-5
tert-butylbenzene

B: 2049-95-8
tery-amylbenzene

C: 4481-30-5
2-methyl-3-phenylbutane

Conditions

Conditions	Yield
With isobutylaluminum dichloride for 24h; Ambient temperature;	A 31 % Chromat. B 1 % Chromat. C 68 % Chromat.

...Expand

: 2049-95-8
tery-amylbenzene

: 860556-27-0
1-iodo-4-(tertpentyl)benzene

Conditions

Conditions	Yield
With sodium periodate; sulfuric acid; iodine; acetic acid In water at 30 - 40℃; for 5h; Temperature; Reagent/catalyst;	97%
With sodium periodate; sulfuric acid; iodine In acetic anhydride; acetic acid at 0 - 12℃; for 24.3333h;	96%
With iodine; iodic acid

: 85-44-9
phthalic anhydride

: 2049-95-8
tery-amylbenzene

: 64164-99-4
2-(4'-tert-amylbenzoyl)-benzoic acid

Conditions

Conditions	Yield
With aluminum (III) chloride In chlorobenzene at 20 - 40℃; for 4h;	93.5%

: 85-44-9
phthalic anhydride

: 2049-95-8
tery-amylbenzene

: 2-(t-amylbenzoyl)benzoic acid

Conditions

Conditions	Yield
aluminium trichloride In chlorobenzene	70.4%

: 2049-95-8
tery-amylbenzene

: 57263-21-5
4-tert-pentyl-bromobenzene

Conditions

Conditions	Yield
With bromine; iron for 23h;	69%

: 85-44-9
phthalic anhydride

: 7664-93-9
sulfuric acid

: 2049-95-8
tery-amylbenzene

: 2-(t-amylbenzoyl)benzoic acid

Conditions

Conditions	Yield
aluminium trichloride In n-heptane; water; chlorobenzene	65%

...Expand

: 2049-95-8
tery-amylbenzene

: 78-84-2
isobutyraldehyde

: (E)-2-methyl-3-(4-(tert-pentyl)phenyl)acrylaldehyde

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; 3-amino propanoic acid at 60℃; for 24h; Sealed tube; stereoselective reaction;	61%

: 50-00-0
formaldehyd

: 2049-95-8
tery-amylbenzene

: 28162-11-0
1-chloromethyl-4-tert-pentylbenzene

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride

: 624-96-4
1,3-dichloro-3-methylbutane

: 2049-95-8
tery-amylbenzene

: 1-(3-chloro-1,1-dimethyl-propyl)-4-tert-pentyl-benzene

Conditions

Conditions	Yield
With aluminium trichloride; nitromethane

: 2049-95-8
tery-amylbenzene

: 1561-92-8
sodium methallylsulfonate

: 2-methyl-2-(4-tert-pentyl-phenyl)-propane-1-sulfonic acid

Conditions

Conditions	Yield
With sulfuric acid; boron trifluoride; 1,2-dichloro-ethane

: 2049-95-8
tery-amylbenzene

: 31797-64-5
4-t-pentylcyclohexane

Conditions

Conditions	Yield
With hydrogen; acetic acid; platinum

: 2049-95-8
tery-amylbenzene

: 6284-98-6
1-(1,1-dimethylpropyl)-4-nitrobenzene

Conditions

Conditions	Yield
With nitric acid; acetic anhydride; acetic acid at 30 - 40℃;
With nitric acid; acetic acid

: 2049-95-8
tery-amylbenzene

: 2049-92-5
4-(1,1-dimethylpropyl)aniline

Conditions

Conditions	Yield
With sulfuric acid; nitric acid Schuetteln des Reaktionsprodukts mit Zinn und wss.-aethanol.Salzsaeure;
Multi-step reaction with 2 steps 1: glacial acetic acid; fuming nitric acid View Scheme
Multi-step reaction with 2 steps 1: glacial acetic acid; acetic acid anhydride; HNO3 / 30 - 40 °C 2: nickel; ethanol / 100 °C / 58840.6 Torr / Hydrogenation View Scheme

: 2049-95-8
tery-amylbenzene

: 781657-37-2
4-tert-pentyl-benzenesulfonic acid amide

Conditions

Conditions	Yield
With chlorosulphuric acid; chloroform Erwaermen des danach isolierten Reaktionsprodukts mit Ammoniumcarbonat;

: 2049-95-8
tery-amylbenzene

: 169677-20-7
4-(1,1-dimethylpropyl)benzenesulfonyl chloride

Conditions

Conditions	Yield
With tetrachloromethane; chlorosulphuric acid
Multi-step reaction with 2 steps 1: chlorosulfonic acid / chloroform / 1.5 h / Inert atmosphere; Cooling with ice 2: thionyl chloride; N,N-dimethyl-formamide / 2 h / 80 °C View Scheme

: 2049-95-8
tery-amylbenzene

: N,N'-(4-tert-pentyl-m-phenylene)-bis-acetamide

: 2049-95-8
tery-amylbenzene

: 75-36-5
acetyl chloride

: 67468-81-9
1-(4-tert-pentyl-phenyl)-ethanone

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride

tert-Amylbenzene Chemical Properties

Structure of tert-Amylbenzene (CAS NO.2049-95-8):

IUPAC Name: 2-methylbutan-2-ylbenzene
Empirical Formula: C₁₁H₁₆
Molecular Weight: 148.2447
EINECS: 218-076-0
Index of Refraction: 1.482
Molar Refractivity: 49.27 cm³
Molar Volume: 172.6 cm³
Polarizability: 19.53×10^-24cm³
Surface Tension: 27.4 dyne/cm
Density: 0.858 g/cm³
Flash Point: 59.3 °C
Enthalpy of Vaporization: 40.88 kJ/mol
Boiling Point: 190.1 °C at 760 mmHg
Vapour Pressure: 0.764 mmHg at 25°C
Synonyms of tert-Amylbenzene (CAS NO.2049-95-8): (1,1-Dimethylpropyl)benzene ; 2-Methyl-2-phenylbutane ; 2-Phenyl-2-methylbutane ; Benzene, (1,1-dimethylpropyl)- ; tert-Pentylbenzene .

tert-Amylbenzene Uses

tert-Amylbenzene (CAS NO.2049-95-8) is mainly used for high solubility of hydrogen peroxide of the working fluid carrier - tert-amyl anthraquinone's production. It also may be used as solvent.

tert-Amylbenzene Toxicity Data With Reference

orl-rat LDLo:10 mL/kg

AMIHAB AMA Archives of Industrial Health. 19 (1959),403.

tert-Amylbenzene Consensus Reports

Reported in EPA TSCA Inventory.

tert-Amylbenzene Safety Profile

Safety Statements: 23-24/25
R23 :Toxic by inhalation.
R23/25:Toxic by inhalation and if swallowed.
RTECS: DA6720000
Mildly toxic by ingestion. When heated to decomposition it yields irritating fumes and smoke.

Product Name

tert-Amylbenzene

Synthetic route

tert-Amylbenzene Chemical Properties

tert-Amylbenzene Uses

tert-Amylbenzene Toxicity Data With Reference

tert-Amylbenzene Consensus Reports

tert-Amylbenzene Safety Profile

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