2-Propylheptanoic acid

Base Information

• Chemical Name: 2-Propylheptanoic acid
• CAS No.: 31080-39-4
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID90874136
• Nikkaji Number: J73.641D
• Mol file: 31080-39-4.mol

Synonyms:31080-39-4;2-PROPYLHEPTANOIC ACID;2-n-Propylheptanoic acid;2-Propylheptanic acid;Heptanoic acid, 2-propyl-;4-Nonanecarboxylic acid;2-N-PROPYL-1-HEPTANOIC ACID;2-Propylheptansaeure;2-Propylheptansaeure [German];BRN 1758026;2-02-00-00313 (Beilstein Handbook Reference);2-n-Propylheptanoicacid;SCHEMBL38492;DTXSID90874136;MFCD01723758;2-n-Propyl-1-heptanoic acid, AldrichCPR;AS-40558;LS-74413;CS-0152330

Chemical Property of 2-Propylheptanoic acid

Chemical Property:

• Vapor Pressure: 0.00178mmHg at 25°C
• Refractive Index: 1.4192 (estimate)
• Boiling Point: 271.6°Cat760mmHg
• PKA: 4.82±0.40(Predicted)
• Flash Point: 142.3°C
• PSA: 37.30000
• Density: 0.913g/cm³
• LogP: 3.06760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-N-PROPYL-1-HEPTANOICACID 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCC)C(=O)O

Technology Process of 2-Propylheptanoic acid

There total 8 articles about 2-Propylheptanoic 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:

non-1-ene (124-11-8) + carbon monoxide (201230-82-2) → 2-methylnonanoic acid (117214-89-8,121820-33-5,24323-21-5) + 2-propyl heptanoic acid (31080-39-4) + nonane-3-carboxylic acid (25234-25-7) + 2-butylhexanoic acid (3115-28-4)

Guidance literature:

Multistep reaction; (i) BF₃*H₂SO₄, (ii) H₂O;

Reference yield:

pentan-1-ol (71-41-0) → 2-propyl heptanoic acid (31080-39-4) + valeric acid (109-52-4)

Guidance literature:

With aluminum hydroxide; potashlime; copper; calcium carbonate; at 250 - 270 ℃; unter Druck;

Reference yield:

2-(n-propyl)-heptanal (76058-49-6) → nonane (111-84-2) + 2-propyl heptanoic acid (31080-39-4)

Guidance literature:

With oxygen; at 70 ℃; under 2250.23 Torr; Product distribution / selectivity;

upstream raw materials:

pentan-1-ol

non-1-ene

carbon monoxide

pentanal

Refernces

• 1、 -. "PROCESS FOR PREPARING DECANECARBOXYLIC ACIDS". . . Retrieved 2012/07/14.