Decyl hydrogen succinate

Base Information

• Chemical Name: Decyl hydrogen succinate
• CAS No.: 2530-33-8
• Molecular Formula: C14H26O4
• Molecular Weight: 258.358
• European Community (EC) Number: 219-783-7
• DSSTox Substance ID: DTXSID50948140
• Nikkaji Number: J192.019G
• Mol file: 2530-33-8.mol

Synonyms:2-decylbutanedioic acid;Decyl hydrogen succinate;2530-33-8;2-decylsuccinic acid;Butanedioic acid,2-decyl-;Butanedioic acid, decyl-;EINECS 219-783-7;decylsuccinic acid;SCHEMBL886891;2-decylsuccinic acid, AldrichCPR;DTXSID50948140;AI-942/25121140

Chemical Property of Decyl hydrogen succinate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 94-95 °C(Solv: acetic acid (64-19-7))
• Refractive Index: 1.457
• Boiling Point: 372.4 °C at 760 mmHg
• PKA: 4.55±0.19(Predicted)
• Flash Point: 193.2 °C
• PSA: 74.60000
• Density: 1.036 g/cm³
• LogP: 3.69270
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(CC(=O)O)C(=O)O

Technology Process of Decyl hydrogen succinate

There total 9 articles about Decyl hydrogen succinate 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: 100.0%

3-decyldihydrofuran-2,5-dione (18470-76-3) → Decylsuccinic acid (2530-33-8)

Guidance literature:

With water; Heating;

DOI:10.1021/jo00113a030

Reference yield:

decyl-succinic acid diethyl ester (112008-99-8) → Decylsuccinic acid (2530-33-8)

Guidance literature:

With sodium hydroxide;

Reference yield:

caprinaldehyde (112-31-2) → Decylsuccinic acid (2530-33-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / und Verestern des Reaktionsprodukts mit alkoh.HCl bei Raumtemperatur;ein Gemisch von Isomeren

2: palladium/charcoal; ethanol / 2942.03 Torr / Hydrogenation

3: NaOH

With sodium hydroxide; palladium on activated charcoal; ethanol; potassium tert-butylate;

upstream raw materials:

3-decyldihydrofuran-2,5-dione

decyl-succinic acid diethyl ester

dodecane-1,1,2-tricarboxylic acid

caprinaldehyde

Refernces

• 1、 -. "Antimicrobial compositions". . . Retrieved 2008/06/13.