4-Ethylbenzaldehyde

Base Information

• Chemical Name: 4-Ethylbenzaldehyde
• CAS No.: 4748-78-1
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 29122990
• European Community (EC) Number: 225-268-8
• UNII: 289PPW3SG4
• DSSTox Substance ID: DTXSID0047080
• Nikkaji Number: J38.078D
• Wikipedia: 4-Ethylbenzaldehyde
• Wikidata: Q4637128
• Metabolomics Workbench ID: 45216
• ChEMBL ID: CHEMBL1887227
• Mol file: 4748-78-1.mol

Synonyms:4-ETHYLBENZALDEHYDE;4748-78-1;p-Ethylbenzaldehyde;Benzaldehyde, 4-ethyl-;4-ethyl benzaldehyde;4-EthYl-Benzaldehyde;Ethylbenzaldehyde, p-;Ebal;Ethyl benzaldehyde;Ethyl-benzaldehyde;FEMA No. 3756;Benzaldehyde, P-ethyl-;BENZALDEHYDE,4-ETHYL;UNII-289PPW3SG4;289PPW3SG4;DTXSID0047080;EINECS 225-268-8;p-ethyl-benzaldehyde;4 - ethylbenzaldehyde;p-Ethylbenzaldehyde, d;4-Ethylbenzaldehyde, 98%;SCHEMBL154747;4-Ethylbenzaldehyde, >=97%;CHEMBL1887227;DTXCID8027080;BDBM85650;FEMA 3756;CHEBI:167400;4-ETHYLBENZALDEHYDE [FHFI];STR03104;Tox21_302332;MFCD00006956;STL194069;AKOS000119441;CS-W013373;HY-W012657;4-Ethylbenzaldehyde, analytical standard;NCGC00188249-01;NCGC00256075-01;AC-15538;BP-10970;CAS-4748-78-1;E0325;FT-0618399;FT-0651915;EN300-20311;E78175;A827244;Q4637128;F2190-0624;Z104477712

Chemical Property of 4-Ethylbenzaldehyde

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.106mmHg at 25°C
• Refractive Index: n20/D 1.539(lit.)
• Boiling Point: 221.7 °C at 760 mmHg
• Flash Point: 92.2 °C
• PSA: 17.07000
• Density: 1.001 g/cm³
• LogP: 2.06150
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in alcohol.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn:Harmful
• Statements: R22:; R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C=O
• Uses: It is used as a perfuming agent in cosmetics industry. It is also used as a pharmaceutical intermediate. 4-Ethylbenzaldehyde has been used in the synthesis of 4,4′-diaminotriphenylmethanes under microwave irradiation, which is useful for parallel library syntheses.

Technology Process of 4-Ethylbenzaldehyde

There total 61 articles about 4-Ethylbenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

4-Ethynylbenzaldehyde (63697-96-1) → 4-vinyl-benzaldehyde (1791-26-0) + 4-ethylbenzylaldehyde (4748-78-1)

Guidance literature:

With hydrogen; In tetrahydrofuran; at 50 ℃; for 10h; under 760.051 Torr;

DOI:10.1002/anie.201207845

Reference yield: 95.0%

4-ethylbenzyl alcohol (768-59-2) → 4-ethylbenzylaldehyde (4748-78-1)

Guidance literature:

With iron(III) chloride; nitric acid; In acetone; at 20 ℃; for 0.233333h; Sonication;

DOI:10.1016/j.ultsonch.2011.02.003

Reference yield: 94.0%

4-ethylbenzylamine (7441-43-2) → 4-ethylbenzylaldehyde (4748-78-1)

Guidance literature:

With immobilised amine transaminase from the moderate halophilic bacterium Halomonas elongata; sodium pyruvate; In aq. phosphate buffer; dimethyl sulfoxide; at 37 ℃; for 2h; under 760.051 Torr; pH=8;

DOI:10.1002/cctc.201701147

upstream raw materials:

(4-ethyl-benzyliden)-aniline

N-(4-ethyl-benzylidene)-p-toluidine

4-ethylbenzylamine

4-ethylbenzylchloride

Downstream raw materials:

3-(4-ethyl-phenyl)-2,3-epoxy-propionic acid ethyl ester

4-ethyl cinnamic acid

4-ethylbenzylamine

4-ethylbenzyl alcohol

Refernces

• 1、 Baker,Davies,Hemming. "-". . p. 692,702. Retrieved 1940.
• 2、 Liu, Chen,Liu, Yongjun,Qi, Yan,Song, Bin,Wang, Liang,Xiao, Shuhuan. "Samarium-based Grignard-type addition of organohalides to carbonyl compounds under catalysis of CuI". supporting information. p. 6169 - 6172. Retrieved 2021/06/30.
• 3、 Sun, Shirong,Akiyama, Takuya,Yokoyama, Tomoya,Matsumoto, Yuji. "Differences in the Mechanisms of MnO2Oxidation between Lignin Model Compounds with the p-Hydroxyphenyl, Guaiacyl, and Syringyl Nuclei". . p. 6819 - 6825. Retrieved 2020/07/02.