| Identification | More | [Name]
4-tert-Butylbenzaldehyde | [CAS]
939-97-9 | [Synonyms]
4-TERT-BUTYLBENZALDEHYDE
AKOS BBS-00003171
LABOTEST-BB LT00689343
P-TERT-BUTYL BENZALDEHYDE
TIMTEC-BB SBB008564
4-(1,1-dimethylethyl)-benzaldehyd
4-(1,1-dimethylethyl)-Benzaldehyde
benzaldehyde,-(1,1-dimethylethyl)-
p-tert-butylbenzaldehyde(p-tbb)
4-t-BUTYL BENZALDEHYDE
P-TERTIARY-BUTYL BENZALDEHYDE
para TertiaryButyl Benzaldehyde
4-tert-Butylbenzaldehyde 98%
PARA-TERTBUTYLBENZALDEHYDE
p-tert.Butylbenzaldehyd | [EINECS(EC#)]
213-367-9 | [Molecular Formula]
C11H14O | [MDL Number]
MFCD00035742 | [Molecular Weight]
162.23 | [MOL File]
939-97-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
245-246 °C | [Boiling point ]
130 °C25 mm Hg(lit.) | [density ]
0.97 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.53(lit.)
| [Fp ]
214 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
Liquid | [color ]
Clear colorless to yellow | [explosive limit]
1.3-5.6%(V) | [Water Solubility ]
Soluble in water. | [Sensitive ]
Air & Light Sensitive | [BRN ]
1906461 | [Cosmetics Ingredients Functions]
FRAGRANCE | [InChI]
1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3 | [InChIKey]
OTXINXDGSUFPNU-UHFFFAOYSA-N | [SMILES]
[H]C(=O)c1ccc(cc1)C(C)(C)C | [LogP]
3.330 (est) | [CAS DataBase Reference]
939-97-9(CAS DataBase Reference) | [EPA Substance Registry System]
939-97-9(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS06,GHS08,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301-H317-H361fd-H400 | [Precautionary statements ]
P202-P261-P273-P280-P301+P310-P302+P352 | [Hazard Codes ]
Xn,N,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3082 9/PG 3
| [WGK Germany ]
2
| [F ]
8-9-23 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29122990 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Aquatic Acute 1
Repr. 2
Skin Sens. 1 |
| Hazard Information | Back Directory | [Uses]
4-tert-Butylbenzaldehyde is suitable for use in a kinetic study to evaluate the kinetic constants (KI) for inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. | [Uses]
Used for preparing isoxazolyl penicillin derivatives. 4-tert-Butylbenzaldehyde is suitable for use in a kinetic study to evaluate the kinetic constants (KI) for inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. It is also an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 37, p. 3973, 1972 DOI: 10.1021/jo00797a058
Tetrahedron Letters, 32, p. 4291, 1991 DOI: 10.1016/S0040-4039(00)92151-8 | [General Description]
4-tert-Butylbenzaldehyde is an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds. It is reported to be formed during the partial oxidation of 4-tert-butyltoluene by hydrogen peroxide in glacial acetic acid, catalyzed by bromide ions in combination with cobalt(II) acetate or cerium(III) acetate. Schiff base reaction between 4-tert-butylaniline and 4-tert-butylbenzaldehyde in ethanol has been carried out on-chip in the matrix assisted laser desorption ionization (MALDI) chamber, the formed imine was detected in real time. | [Synthesis]
At present, the synthesis methods of p-tert-butyl benzaldehyde include chemical oxidation, oxygen (air) oxidation, electrochemical oxidation and benzyl halide hydrolysis. Oxygen (air) liquid-phase oxidation is currently the most interested in a method, |
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