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4-Ethylbenzaldehyde
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Name

4-Ethylbenzaldehyde

 EINECS 225-268-8
CAS No. 4748-78-1 Density 1.001 g/cm3
PSA 17.07000 LogP 2.06150
Solubility Not miscible or difficult to mix in water. Soluble in alcohol. Melting Point N/A
Formula C9H10O Boiling Point 221.7 °C at 760 mmHg
Molecular Weight 134.178 Flash Point 92.2 °C
Transport Information N/A Appearance clear colourless to slightly yellow liquid
Safety 26-27-28-36/37/39-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 4748-78-1 (4-ethylbenzaldehyde) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Benzaldehyde,p-ethyl- (6CI,7CI,8CI);p-Ethylbenzaldehyde;

Article Data 74

4-Ethylbenzaldehyde Synthetic route

63697-96-1

4-Ethynylbenzaldehyde

A

1791-26-0

4-vinyl-benzaldehyde

B

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With hydrogen In tetrahydrofuran at 50℃; under 760.051 Torr; for 10h;A 97%
B 3%
With hydrogen In dichloromethane at 40℃; under 1500.15 Torr; for 24h; Reagent/catalyst; Solvent; Temperature; Pressure; Schlenk technique;A 67 %Chromat.
B 33 %Chromat.
768-59-2

4-ethylbenzyl alcohol

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With iron(III) chloride; nitric acid In acetone at 20℃; for 0.233333h; Sonication;95%
With 3,3-dichloro-1,2-diphenylcyclopropene; dimethyl sulfoxide; triethylamine In dichloromethane at -78 - 20℃; Inert atmosphere;95%
With laccase; 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt In tetrahydrofuran; water at 40℃; for 24h;92%
7441-43-2

4-ethylbenzylamine

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With immobilised amine transaminase from the moderate halophilic bacterium Halomonas elongata; sodium pyruvate In aq. phosphate buffer; dimethyl sulfoxide at 37℃; under 760.051 Torr; for 2h; pH=8;94%
With steam; nickel at 210℃;
1585-07-5

1-bromo-4-ethylbenzene

68-12-2, 33513-42-7

N,N-dimethyl-formamide

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With samarium; copper(l) iodide at 20℃; for 4h; Inert atmosphere;93%
3454-07-7

1-ethenyl-4-ethyl-benzene

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With dihydrogen peroxide In acetonitrile at 65℃; for 6h;92%
1791-26-0

4-vinyl-benzaldehyde

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With methanol; formic acid; water In ethyl acetate at 25℃; for 3h; Irradiation; Inert atmosphere;90%
With aluminum (III) chloride In ethanol; water; acetonitrile at 20℃; for 6h; Irradiation; Inert atmosphere;95 %Chromat.

C13H16O4

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In methanol at 20℃; for 2.5h; chemoselective reaction;86%
619-64-7

p-ethylbenzoic acid

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
With succinic acid anhydride; methylphenylsilane; C58H82O6P2; copper(II) nitrate In tetrahydrofuran at 75℃; for 18h; Schlenk technique; Inert atmosphere;85%
With potassium phosphate; sodium hypophosphite; 2,2-dimethylpropanoic anhydride; palladium diacetate; tricyclohexylphosphine In tetrahydrofuran at 60℃; for 16h;74%
With 2,6-dimethylpyridine; nickel(II) bromide trihydrate; phenylsilane; 4,4'-di-tert-butyl-2,2'-bipyridine; zinc; dimethyl dicarbonate In ethyl acetate at 60℃; for 24h; Schlenk technique; Inert atmosphere;76 %Chromat.
64-18-6

formic acid

25309-64-2

4-ethyl-1-iodobenzene

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
Stage #1: formic acid; 4-ethyl-1-iodobenzene With palladium diacetate; acetic anhydride; tricyclohexylphosphine In N,N-dimethyl-formamide at 30℃; for 1h; Inert atmosphere; Green chemistry;
Stage #2: With triethylamine In N,N-dimethyl-formamide at 80℃; for 6h; Inert atmosphere; Green chemistry;		85%
With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; tricyclohexylphosphine In N,N-dimethyl-formamide at 80℃; for 10h; Inert atmosphere; Sealed tube;71%

α,α-dibromo-p-toluene

67-68-5

dimethyl sulfoxide

4748-78-1

4-ethylbenzylaldehyde

Conditions
ConditionsYield
at 100℃; for 5h;80%

4-Ethylbenzaldehyde Specification

The Benzaldehyde, 4-ethyl- is a derivative of benzaldehyde with the formula C9H10O. The IUPAC name of this chemical is 4-ethylbenzaldehyde. With the CAS registry number 4748-78-1 and EINECS 225-268-8, it is also named as Ethylbenzaldehyde, p-. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Benzaldehyde (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Alphabetical Listings; Flavors and Fragrances; Aldehydes; Carbonyl Compounds. It is clear colourless to slightly yellow liquid which is stable under normal temperature and pressure. In addition, this chemical should be sealed in the container, stored in the well-ventilated and dry place and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 42.55 cm3; (11)Molar Volume: 133.9 cm3; (12)Polarizability: 16.87×10-24 cm3; (13)Surface Tension: 36.3 dyne/cm; (14)Density: 1.001 g/cm3; (15)Flash Point: 92.2 °C; (16)Enthalpy of Vaporization: 45.81 kJ/mol; (17)Boiling Point: 221.7 °C at 760 mmHg; (18)Vapour Pressure: 0.106 mmHg at 25°C.

Preparation of Benzaldehyde, 4-ethyl-: It can be obtained by N,N-dimethyl-formamide and bis-(4-ethyl-phenyl)-mercury. This reaction needs reagent POCl3 and solvent water at temperature of 70 °C. The reaction time is 5 hours. The yield is 65%.

Benzaldehyde, 4-ethyl- can be obtained by N,N-dimethyl-formamide and bis-(4-ethyl-phenyl)-mercury

Uses of Benzaldehyde, 4-ethyl-: It can react with malonic acid to get 3-amino-3-(4-ethyl-phenyl)-propionic acid. This reaction needs reagent AcONH4 and solvent ethanol by heating. The reaction time is 6 hours. The yield is 65%.

Benzaldehyde, 4-ethyl- can react with malonic acid to get 3-amino-3-(4-ethyl-phenyl)-propionic acid

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure. 
1. SMILES:CCc1ccc(C=O)cc1
2. InChI:InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3 
3. InChIKey:QNGNSVIICDLXHT-UHFFFAOYAN

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