2-Pentenal

Base Information

• Chemical Name: 2-Pentenal
• CAS No.: 1576-87-0
• Molecular Formula: C5H8 O
• Molecular Weight: 84.1179
• Hs Code.: 2912190090
• European Community (EC) Number: 212-120-2,216-414-1
• UNII: 7A4R3CQA2T
• DSSTox Substance ID: DTXSID80858788
• Nikkaji Number: J127.240C,J49.956K
• Wikidata: Q24705869
• Pharos Ligand ID: 2N9KD8VTVZVD
• Metabolomics Workbench ID: 129805
• ChEMBL ID: CHEMBL256368
• Mol file: 1576-87-0.mol

Synonyms:2-pentenal;2-pentenal, (E)-isomer;pent-2-enal

Chemical Property of 2-Pentenal

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 11.451mmHg at 25°C
• Melting Point: -101.15°C (estimate)
• Refractive Index: n20/D 1.440-1.446(lit.)
• Boiling Point: 126.8 °C at 760 mmHg
• Flash Point: 19 ºC
• PSA: 17.07000
• Density: 0.86
• LogP: 1.15150
• Storage Temp.: 0-6°C
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

99% ^*data from raw suppliers

trans-2-Pentenal >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,F
• Statements: 10-36/37/38-11
• Safety Statements: 29-37/39-26-16

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCC=CC=O
• Isomeric SMILES: CC/C=C/C=O

Technology Process of 2-Pentenal

There total 69 articles about 2-Pentenal 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: 20.0%

acetaldehyde (75-07-0,9002-91-9) + propionaldehyde (123-38-6) → 2-pentenal (1576-86-9,1576-87-0,764-39-6) + 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + crotonaldehyde (123-73-9,4170-30-3)

Guidance literature:

With aniline hydrochloride; In N,N-dimethyl acetamide; at 125 ℃; for 3h; Autoclave;

DOI:10.1134/S0965544118120083

Reference yield:

1-penten (109-67-1) → formic acid (64-18-6) + 1,2-pentanediol (5343-92-0) + 2-pentenal (1576-86-9,1576-87-0,764-39-6)

Guidance literature:

1-penten; at 25 ℃; for 24h; Irradiation;

With water;

Reference yield:

1-penten (109-67-1) → propan-1-ol (71-23-8) + formic acid (64-18-6) + 1,2-pentanediol (5343-92-0) + 2-pentenal (1576-86-9,1576-87-0,764-39-6) + ethylene glycol (107-21-1) + butan-1-ol (71-36-3)

Guidance literature:

1-penten; at 25 ℃; for 2h; Irradiation;

With water;

upstream raw materials:

1,4-Pentadiene

(E)-2-penten-1-ol

1-ethoxy-1,3-pentadiene

1,1,3-triethoxypentane

Downstream raw materials:

2-pentenal 2,4-dinitrophenyl hydrazone

2-((E)-But-1-enyl)-3-methyl-cyclohex-2-enone

(E,E,E)-2,4,6-nonatrienal

(E,E)-3,5-octadien-2-one

Refernces

• 1、 Bloch, Peter,Tamm, Christoph. "Isolation and Structure of Pseurotin A, a Microbial Metabolite of Pseudeurotium ovalis Stolk with an Unusual Heterospirocyclic System". . p. 304 - 315. Retrieved 1981.
• 2、 -. "Chromium-Catalyzed Production of Diols From Olefins". Paragraph 0111. . Retrieved 2021/03/19.
• 3、 Martsinkevich,Bruk,Dashko,Afaunov,Flid,Sedov. "Catalytic Reactions of Homo- and Cross-Condensation of Ethanal and Propanal". . p. 1032 - 1035. Retrieved 2019/01/03.