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939-97-9

Basic Information
CAS No.: 939-97-9
Name: 4-tert-Butylbenzaldehyde
Article Data: 274
Molecular Structure:
Molecular Structure of 939-97-9 (4-tert-Butylbenzaldehyde)
Formula: C11H14O
Molecular Weight: 162.232
Synonyms: 4-(1,1-Dimethylethyl)benzaldehyde;Benzaldehyde,p-tert-butyl- (6CI,7CI,8CI);p-tert-Butylbenzaldehyde;para-tert-Butylbenzaldehyde;
EINECS: 213-367-9
Density: 0.966 g/cm3
Melting Point: 245-246 °C
Boiling Point: 240.8 °C at 760 mmHg
Flash Point: 96.9 °C
Solubility: Soluble in water.
Appearance: clear to pale yellow liquid
Hazard Symbols: HarmfulXn,DangerousN,IrritantXi
Risk Codes: 22-43-50/53
Safety: 36/37-60-61
Transport Information: UN 3082 9/PG 3
PSA: 17.07000
LogP: 2.79660
Synthetic route
877-65-6

4-tert-Butylbenzyl alcohol

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With 1H-imidazole; sodium periodate; manganese(III)-porphyrin complex immobilized on polystyrene In water; acetonitrile at 20℃; for 1.16667h;100%
With oxygen In 1,3,5-trimethyl-benzene at 60℃; under 760.051 Torr; for 7h; Solvent; Reagent/catalyst;100%
With titanium(IV) oxide; oxygen at 29.84℃; under 760.051 Torr; for 6h; Sealed tube; Irradiation;99%
1710-98-1

p-tert-butyl benzoyl chloride

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With polymethylhydrosiloxane; trifuran-2-yl-phosphane; tetrabutyl ammonium fluoride; potassium fluoride; tris-(dibenzylideneacetone)dipalladium(0) In tetrahydrofuran; water at 20℃; for 1h;99%
With diethylene glycol dimethyl ether; lithium tri-t-butoxyaluminum hydride
With hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal In ethyl acetate at 25℃; under 760 Torr; for 1.75h; Yield given;
Multi-step reaction with 2 steps
1: dichloromethane / 0.5 h / 20 °C / Cooling with ice
2: Schwartz's reagent / tetrahydrofuran / 0.5 h / 20 °C
View Scheme
1746-23-2

4-tert-Butylstyrene

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With p-PPh2-C6H4-(OCH2CH2)n-O-C6H4-PPh2-p; ozone Product distribution; various catalysts;98%
Stage #1: 4-tert-Butylstyrene With oxygen; ozone In dichloromethane at -78℃;
Stage #2: With poly(ethylene glycol)-triphenylphosphine In dichloromethane at -78 - 20℃;
98%
With oxygen; benzoic acid; sodium nitrite In toluene at 80℃; for 20h; Reagent/catalyst; Solvent; Temperature;82%
180261-48-7

4-tert-butyl benzene carbaldehyde oxime

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water; toluene at 60℃; under 760.051 Torr; for 3h;98%
624286-50-6

(4-tert-butylbenzyloxy)trimethylsilane

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With trinitratocerium(IV) bromate for 0.7h; Heating;97%
With copper(II) nitrate trihydrate; water; silica gel; potassium bromide at 90℃; for 0.5h; Neat (no solvent);87%
3972-65-4

1-bromo-4-tert-butylbenzene

201230-82-2

carbon monoxide

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With N,N,N,N,-tetramethylethylenediamine; hydrogen; palladium diacetate; propyl di-tert-butylphosphinite In toluene at 100℃; under 3750.38 Torr; for 20h; Inert atmosphere;97%
19692-45-6

4-tert-butylbenzyl chloride

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With 1-dodecyl-3-methylimidazolium iron chloride; periodic acid at 30℃; for 1.5h;96%
With potassium hydroxide; cetyltrimethylammonim bromide; potassium nitrate In water for 4h; pH=10 - 11; Reflux;90%
With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; potassium bromide In water for 4h; Reflux;90%
With sodium nitrate; acetic acid In water for 3.5h; Reflux;90%
With hexamethylenetetramine; sulfuric acid; sodium carbonate In ethanol; water; toluene11.8 g (60%)
98-51-1

4-tert-butyltoluene

939-97-9

4-tert-Butylbenzaldehyde

Conditions
ConditionsYield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In fluorobenzene; dimethyl sulfoxide at 80℃; for 8h;95%
With ammonium cerium(IV) nitrate In water; acetic acid at 85 - 95℃; for 1.5h;94%
With carbon tetrabromide; oxygen In acetonitrile at 20℃; for 3h; Irradiation; Green chemistry;90%
19099-48-0

1,1-bis(4-t-butylphenyl)methane

80077-60-7

1-azidononane

A

939-97-9

4-tert-Butylbenzaldehyde

B

1225826-38-9

4-tert-butyl-N-nonylaniline

Conditions
ConditionsYield
With water; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; iron(II) chloride at 60℃; for 5h;A 85%
B 94%

N-(4-tert-butylbenzyl)-4-tert-butylaniline

A

939-97-9

4-tert-Butylbenzaldehyde

B

769-92-6

4-tert-Butylaniline

Conditions
ConditionsYield
Stage #1: N-(4-tert-butylbenzyl)-4-tert-butylaniline With oxygen; toluene-4-sulfonic acid; dimethyl sulfoxide In toluene at 100℃; for 119h; Green chemistry;
Stage #2: With hydrogenchloride In water at 20℃; for 1h; Reagent/catalyst; Temperature; Green chemistry;
A 93%
B 94%
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Chemistry

MF: C11H14O
MW: 162.23
EINECS: 213-367-9
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Aldehydes;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Pharmaceutical Intermediate;C10 to C21;Carbonyl Compounds
bp: 130 °C25 mm Hg(lit.) 
density:  0.97 g/mL at 25 °C(lit.) 
refractive index:  n20/D 1.53(lit.) 
Fp:  214 °F 
Sensitive: Air & Light Sensitive
BRN: 1906461

4-TERT-BUTYLBENZALDEHYDE's Synonyms: LABOTEST-BB LT00689343;AKOS BBS-00003171;4-TERT-BUTYLBENZALDEHYDE;P-TERT-BUTYL BENZALDEHYDE;TIMTEC-BB SBB008564;4-(1,1-DIMETHYLETHYL)-BENZALDEHYD;4-(1,1-DIMETHYLETHYL)-BENZALDEHYDE;BENZALDEHYDE,-(1,1-DIMETHYLETHYL)-

Toxicity Data With Reference

Hazards Identification 
Inhalation:Inhalation of material may be harmful.
Skin: may cause burns.
Eyes:may cause burns.
Hazards:Containers may explode when heated.
EC Risk Phrase:R 22 43
EC Safety Phrase:S 23 36/37
UN (DOT):3334

Safety Profile

4-TERT-BUTYLBENZALDEHYDE's afety Information
Hazard Codes  Xn,N,Xi
RIDADR  UN 3082 9/PG 3 
WGK Germany  2 
F  8-9-23
Hazard Note  Irritant
HazardClass  9
PackingGroup  III

Specification

4-TERT-BUTYLBENZALDEHYDE's Accidental Release Measures 
Small spills/leaks:Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. Avoid inhalation of ASBESTOS dust.
Stability and Reactivity 
Combustion Products:Fire may produce irritating, corrosive and/or toxic gases.