2-Ethyladipic acid

Base Information

• Chemical Name: 2-Ethyladipic acid
• CAS No.: 22935-13-3
• Molecular Formula: C8H14 O4
• Molecular Weight: 174.197
• Hs Code.: 2917190090
• UNII: RP523OY2HV
• DSSTox Substance ID: DTXSID00865075
• Nikkaji Number: J426.700A
• Wikidata: Q27895806
• Metabolomics Workbench ID: 2021
• Mol file: 22935-13-3.mol

Synonyms:2-ethyladipic acid

Chemical Property of 2-Ethyladipic acid

Chemical Property:

• Vapor Pressure: 1.19E-05mmHg at 25°C
• Melting Point: 51 °C
• Boiling Point: 344.3°Cat760mmHg
• PKA: 4.69±0.10(Predicted)
• Flash Point: 176.2°C
• PSA: 74.60000
• Density: 1.159g/cm³
• LogP: 1.35210
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCCC(=O)O)C(=O)O

Technology Process of 2-Ethyladipic acid

There total 1 articles about 2-Ethyladipic 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:

2-Ethylhexyl alcohol (104-76-7) → 2-Ethylhexanoic acid (149-57-5) + 2-ethyl-1,6-hexanedioic acid (22935-13-3)

Guidance literature:

im Stoffwechsel des Kaninchens;

Reference yield:

2-ethyl-1,6-hexanedioic acid (22935-13-3) → 6-ethyl-tetrahydro-2H-pyran-2-one (3301-90-4) + 4-propylbutanolide (105-21-5) + γ-ethyl-Δγ,δ-pentenolide (4054-93-7) + 6-ethyl-5,6-dihydro-2H-pyran-2-one (19895-35-3) + (E)-hept-4-enoic acid (35194-37-7,41653-95-6,51193-78-3) + (E)-hept-5-enoic acid (18776-90-4)

Guidance literature:

With sodium persulfate; silver nitrate; copper(II) sulfate; In water; at 60 ℃; for 3h; Product distribution;

DOI:10.1007/BF00955294

Reference yield:

2-ethyl-1,6-hexanedioic acid (22935-13-3) → 6-ethyl-tetrahydro-2H-pyran-2-one (3301-90-4) + 4-propylbutanolide (105-21-5)

Guidance literature:

With sodium persulfate; hydrogen; silver nitrate; copper(II) sulfate; palladium; Multistep reaction; 1.) water, 60 deg C, 3 h, 2.) CH₃OH, ca.25 deg C, 3 h;

DOI:10.1007/BF00955294

upstream raw materials:

2-Ethylhexyl alcohol

Downstream raw materials:

6-ethyl-tetrahydro-2H-pyran-2-one

4-propylbutanolide

γ-ethyl-Δ^γ,δ-pentenolide

6-ethyl-5,6-dihydro-2H-pyran-2-one