2-Ethylcrotonaldehyde

Base Information

• Chemical Name: 2-Ethylcrotonaldehyde
• CAS No.: 19780-25-7
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 2912190090
• European Community (EC) Number: 243-299-5
• Nikkaji Number: J35.926B,J33.995D
• Wikidata: Q76305104
• Mol file: 19780-25-7.mol

Synonyms:2-Ethylcrotonaldehyde;2-Butenal, 2-ethyl-;19780-25-7;(E)-2-ethylbut-2-enal;2-Ethyl-2-butenal;2-Ethyl crotonic aldehyde;2-Ethyl-trans-2-butenal;CROTONALDEHYDE, 2-ETHYL-;63883-69-2;(2E)-2-Ethyl-2-butenal;BRN 1738001;EINECS 243-299-5;(E)-2-ethyl-2-butenal;2-Ethyl-(E)-2-butenal;CH3CH=C(C2H5)CHO;trans-2-Ethylcrotonal;3-01-00-03001 (Beilstein Handbook Reference);2-Butenal,2-ethyl-;(2E)-2-ethylbut-2-enal;2-Ethyl-transtrans-2-butenal;2-Ethyl-2-butenal, AldrichCPR;IQGZCSXWIRBTRW-ZZXKWVIFSA-;CHEBI:141556;AC9866;AKOS005256260;LS-55522;InChI=1/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3/b6-3+

Chemical Property of 2-Ethylcrotonaldehyde

Chemical Property:

• Vapor Pressure: 7.34mmHg at 25°C
• Melting Point: -78°C (estimate)
• Refractive Index: 1.4475
• Boiling Point: 136.5 °C at 760 mmHg
• Flash Point: 28.3 °C
• PSA: 17.07000
• Density: 0.829 g/cm³
• LogP: 1.54160
• Sensitive.: Air Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 82.2

Purity/Quality:

99%, ^*data from raw suppliers

2-ETHYLCROTONALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 10-36/37/38-52-21
• Safety Statements: 16-26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC)C=O
• Isomeric SMILES: CC/C(=C\C)/C=O

Technology Process of 2-Ethylcrotonaldehyde

There total 17 articles about 2-Ethylcrotonaldehyde 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: 55.0%

acetaldehyde (75-07-0,9002-91-9) + butyraldehyde (123-72-8) → 2-ethylcrotonaldehyde (19780-25-7) + 2-ethylhexenal (645-62-5)

Guidance literature:

With sodium hydroxide; In water; at 40 ℃; under 150.015 Torr; Temperature; Concentration;

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + butyraldehyde (123-72-8) → 2-ethylcrotonaldehyde (19780-25-7) + 2-hexenal (505-57-7) + 2-ethylhexenal (645-62-5) + crotonaldehyde (123-73-9,4170-30-3)

Guidance literature:

With amine supported catalyst 1; In water; at 105 ℃; for 7h; Inert atmosphere; Cooling with ice;

Reference yield:

2-ethyl-1-butene (760-21-4) → 2,2-diethyloxirane (1192-17-2) + 1,2,4-trioxolane (289-14-5) + 2-pentanol (584-02-1) + 2-ethylcrotonaldehyde (19780-25-7) + C5H10O3 + pentan-3-one (96-22-0)

Guidance literature:

With ozone; for 0.00388889h; under 4.1 Torr; Product distribution; Mechanism; reaction in gas phase; mass spectrum of ozone and title compound;

DOI:10.1021/ja00403a031

upstream raw materials:

hexa-1,5-diene-3,4-diol

5-hexen-3-one

3-ethoxy-2-ethyl-butyraldehyde diethylacetal

acetaldehyde

Downstream raw materials:

2-Ethylbutyraldehyde

2-ethyl-6-methyl-7ξ-phenyl-hepta-2ξ,4ξ,6-trienal

diethyl 4-ethylphthalate

Refernces

• 1、 -. "Method for Carrying Out Multiphase Aldol Condensation Reactions to Give Mixed a, beta-Unsaturated Aldehydes". Paragraph 0050-0057. . Retrieved 2014/02/15.
• 2、 Martinez, Richard I.,Herron, John T.,Huie, Robert E.. "The Mechanism of Ozone-Alkene Reactions in the Gas Phase. A Mass Spectrometric Study of the Reactions of Eight Linear and Branched-Chain Alkenes". . p. 3807 - 3820. Retrieved 2007/10/02.