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| CAS No.: | 939-97-9 |
|---|---|
| Name: | 4-tert-Butylbenzaldehyde |
| Article Data: | 274 |
| Molecular Structure: | |
|
|
|
| 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: |
 Xn, N, Xi
|
| Risk Codes: | 22-43-50/53 |
| Safety: | 36/37-60-61 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 17.07000 |
| LogP: | 2.79660 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
- 946052-36-41-Butyl-3-methylpyridinium methanesulfonate
- 942196-38-51-Hexyl-3-methylpyridinium hexafluorophosphat
- 943976-22-5Mefway
- 943962-59-2Tosyl-Mefway
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; toluene | 11.8 g (60%) |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With water; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; iron(II) chloride at 60℃; for 5h; | A 85% B 94% |
| Conditions | Yield |
|---|---|
| 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
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.