3-Pentenal

Base Information

• Chemical Name: 3-Pentenal
• CAS No.: 5604-55-7
• Molecular Formula: C₅H₈O
• Molecular Weight: 84.1179
• DSSTox Substance ID: DTXSID801318496
• Wikidata: Q105312961
• Mol file: 5604-55-7.mol

Synonyms:3-Pentenal;penta-3-enal;DTXSID801318496

Chemical Property of 3-Pentenal

Chemical Property:

• Vapor Pressure: 35.4mmHg at 25°C
• Melting Point: -101.15°C (estimate)
• Refractive Index: 1.4201 (estimate)
• Boiling Point: 101.3°Cat760mmHg
• Flash Point: °C
• Density: 0.824g/cm³
• XLogP3: 0.7
• 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:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CCC=O

Technology Process of 3-Pentenal

There total 16 articles about 3-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:

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → pent-3-enal (53448-06-9,58838-14-5,5604-55-7)

Guidance literature:

With hydrogen; acetylacetonatodicarbonylrhodium(l); (R,S)-binaphos; In benzene; at 30 ℃; under 76000 Torr; Yield given;

DOI:10.1039/CC9960000155

Reference yield:

1,4-hexadiene (592-45-0) → pent-3-enal (53448-06-9,58838-14-5,5604-55-7)

Guidance literature:

1,4-hexadiene; With cis-[Ru(2,9-Me₂phen)₂(OH₂)₂](PF₆)₂; In acetonitrile; at 55 ℃; for 0.5h;

With dihydrogen peroxide; In acetonitrile; for 8h;

DOI:10.1021/ol052025e

Reference yield:

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 4-pentenal (2100-17-6) + pent-3-enal (53448-06-9,58838-14-5,5604-55-7)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos; In benzene; at 30 ℃; under 76000 Torr;

DOI:10.1016/S0040-4020(97)00471-7

upstream raw materials:

3-pentene-1,2-diol

trans-2-pentene-1,4-diol

1-(2-ethoxy-cyclopropyl)-ethanol

1-(2-phenoxy-cyclopropyl)-ethanol

Downstream raw materials:

(9E,12E)-Tetradeca-9,12-dien-1-ol

(-)-(R)-4-(p-tolyl)pentanal

(-)-(R)-4-(p-tolyl)pentan-1-ol

p-methylphenyl 4,6-O-benzylidine-3-O-(naphthalen-2-ylmethyl)-1-thio-β-D-glucopyranoside