Dipentylacetic acid

Base Information

• Chemical Name: Dipentylacetic acid
• CAS No.: 5422-52-6
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• Hs Code.: 2915900090
• NSC Number: 11353
• DSSTox Substance ID: DTXSID70202574
• Nikkaji Number: J306.541C
• Wikidata: Q83075875
• Mol file: 5422-52-6.mol

Synonyms:2-pentylheptanoic acid;Dipentylacetic acid;5422-52-6;Diamylacetic acid;2-PENTYLHEPTANOICACID;di-n-Amylacetic acid;Heptanoic acid, 2-pentyl-;n-diamylacetic acid;SCHEMBL220265;DTXSID70202574;NSC11353;MFCD00014008;NSC 11353;NSC-11353;AKOS015839636;CS-0263418;FT-0624619;F83387;EN300-8674449

Chemical Property of Dipentylacetic acid

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 306.6 °C at 760 mmHg
• Flash Point: 165.7 °C
• PSA: 37.30000
• Density: 0.903 g/cm³
• LogP: 3.84780
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 133

Purity/Quality:

99.3% ^*data from raw suppliers

Di-N-pentylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCCCC)C(=O)O

Technology Process of Dipentylacetic acid

There total 4 articles about Dipentylacetic acid 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:

5-undecene (4941-53-1,764-96-5,764-97-6) + carbon monoxide (201230-82-2) → α-n-pentylheptanoic acid (5422-52-6) + 2-butyloctanoic acid (27610-92-0)

Guidance literature:

With water; toluene-4-sulfonic acid; acetic acid; at 100 ℃; for 20h; under 30003 Torr; Reagent/catalyst; Inert atmosphere; Autoclave;

Reference yield:

hexanoic acid (142-62-1) → α-n-pentylheptanoic acid (5422-52-6) + 2-butyloctanoic acid (27610-92-0)

Guidance literature:

Multi-step reaction with 4 steps

1: magnesium oxide; silica gel / 330 - 360 °C / Inert atmosphere

2: hydrogen; Co/Al₂O₃ / toluene / 20 h / 120 °C / 7500.75 - 15001.5 Torr / Autoclave

3: 5.0MoH-ZSM-5 / toluene / 20 h / 140 °C / 15001.5 Torr / Inert atmosphere

4: toluene-4-sulfonic acid; water; acetic acid / 20 h / 100 °C / 30003 Torr / Inert atmosphere; Autoclave

With magnesium oxide; Co/Al₂O₃; water; hydrogen; silica gel; toluene-4-sulfonic acid; acetic acid; In toluene;

Reference yield:

dipentyl ketone (927-49-1) → α-n-pentylheptanoic acid (5422-52-6) + 2-butyloctanoic acid (27610-92-0)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen; Co/Al₂O₃ / toluene / 20 h / 120 °C / 7500.75 - 15001.5 Torr / Autoclave

2: 5.0MoH-ZSM-5 / toluene / 20 h / 140 °C / 15001.5 Torr / Inert atmosphere

3: toluene-4-sulfonic acid; water; acetic acid / 20 h / 100 °C / 30003 Torr / Inert atmosphere; Autoclave

With Co/Al₂O₃; water; hydrogen; toluene-4-sulfonic acid; acetic acid; In toluene;

upstream raw materials:

6-undecanol

5-undecene

carbon monoxide

hexanoic acid

Downstream raw materials:

2-pentyl-1-heptanol

Refernces