Decyl decanoate

Base Information

• Chemical Name: Decyl decanoate
• CAS No.: 1654-86-0
• Molecular Formula: C20H40O2
• Molecular Weight: 312.536
• Hs Code.: 2915900090
• European Community (EC) Number: 216-729-4
• UNII: B88B7ACL5L
• DSSTox Substance ID: DTXSID8061848
• Nikkaji Number: J111.458A
• Wikidata: Q27274496
• Metabolomics Workbench ID: 4103
• Mol file: 1654-86-0.mol

Synonyms:Decyl decanoate;1654-86-0;Capryl caprate;Decanoic Acid Decyl Ester;DECANOIC ACID, DECYL ESTER;n-Capric acid n-decyl ester;decyl caprate;UNII-B88B7ACL5L;B88B7ACL5L;N-CAPRICACIDN-DECYLESTER;EINECS 216-729-4;WE(10:0/10:0);Decyl decanoate #;1-DECYL DECANOATE;SCHEMBL346718;DTXSID8061848;CHEBI:179717;BAA65486;LMFA07010458;MFCD00059280;AKOS040744787;HY-W127389;BS-21670;trans-3-Benzyloxycyclobutanecarboxylic?acid;CS-0185625;D1080;FT-0704606;F71281;Q27274496

Chemical Property of Decyl decanoate

Chemical Property:

• Melting Point: 9.7°C
• Refractive Index: 1.4410-1.4430
• Boiling Point: 362.388 °C at 760 mmHg
• Flash Point: 176.398 °C
• PSA: 26.30000
• Density: 0.863 g/cm³
• LogP: 6.81100
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.302830514
• Heavy Atom Count: 22
• Complexity: 226

Purity/Quality:

98% ^*data from raw suppliers

Decyl Decanoate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC(=O)CCCCCCCCC

Technology Process of Decyl decanoate

There total 22 articles about Decyl decanoate 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: 99.0%

1-Decanol (112-30-1) → caprinaldehyde (112-31-2) + decyl decanoate (1654-86-0)

Guidance literature:

With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate; In dichloromethane;

DOI:10.1021/jo981322c

Reference yield: 99.0%

1-Decanol (112-30-1) → decyl decanoate (1654-86-0)

Guidance literature:

With sodium bromate; sulfuric acid; sodium bromide; In water; at 20 ℃; for 24h;

DOI:10.1080/00397911.2018.1458320

Reference yield: 93.0%

1-decanoic acid (334-48-5) → decyl decanoate (1654-86-0)

Guidance literature:

With hydrogen; In neat (no solvent); at 20 - 200 ℃; for 24h; under 6000.6 Torr; Autoclave; High pressure;

DOI:10.1002/adsc.201401172

upstream raw materials:

1-Decanol

1-decanoic acid

1-Decene

4-nitrobenzaldehdye

Downstream raw materials:

nonane

Refernces

• 1、 Abramovich, Adi,Toledo, Hila,Pisarevsky, Evgeni,Szpilman, Alex M.. "Organocatalytic oxidative dimerization of alcohols to esters". . p. 2261 - 2265. Retrieved 2012.
• 2、 Yamaguchi, Sho,Kondo, Hiroki,Uesugi, Kohei,Sakoda, Katsumasa,Jitsukawa, Koichiro,Mitsudome, Takato,Mizugaki, Tomoo. "H2-Free Selective Dehydroxymethylation of Primary Alcohols over Palladium Nanoparticle Catalysts". . p. 1135 - 1139. Retrieved 2020/12/29.
• 3、 Reddy, N. Naresh Kumar,Ravi, Chitrakar,Adimurthy, Subbarayappa. "Oxidative esterification of primary alcohols at room temperature under aqueous medium". . p. 1663 - 1670. Retrieved 2018/06/15.