Dodecyl acetate

Base Information

• Chemical Name: Dodecyl acetate
• CAS No.: 112-66-3
• Deprecated CAS: 70808-58-1
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.375
• Hs Code.: 2915390090
• European Community (EC) Number: 203-995-1
• NSC Number: 67366
• UNII: 76J36KE44B
• DSSTox Substance ID: DTXSID7047641
• Nikkaji Number: J1.506G
• Wikipedia: Dodecyl_acetate
• Wikidata: Q18352160
• Metabolomics Workbench ID: 3907
• ChEMBL ID: CHEMBL2228460
• Mol file: 112-66-3.mol

Synonyms:dodecyl acetate;lauryl acetate

Chemical Property of Dodecyl acetate

Chemical Property:

• Vapor Pressure: 0.0094mmHg at 25°C
• Melting Point: 1.3℃
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 150°C15mm Hg(lit.)
• Flash Point: >230°F
• PSA: 26.30000
• Density: 0.865g/mLat 25°C(lit.)
• LogP: 4.47040
• Storage Temp.: 2-8°C
• Solubility.: Acetone (Slightly), Chloroform (Slightly), Hexanes (Slightly)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 155

Purity/Quality:

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

1-DodecanolAcetate ^*data from reagent suppliers

Safty Information:

• Statements: 53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCOC(=O)C
• Description: Lauryl acetate has a characteristic citrus-rose odor. The corre sponding flavor develops only on dilution. May be prepared by acetylation of lauryl alcohol.
• Uses: 1-Dodecanol Acetate can be used as a foaming agent in the purification process of quartz sand. Furthermore, it is a main component of the essential oil from the flowers of Etlingera elatior (Jack) R. M. Smith, which is found to be active against Staphylococcus aureus, Bacillus cereus, Candida albicans and Cryptococcus neoformans.

Technology Process of Dodecyl acetate

There total 53 articles about Dodecyl acetate 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-dodecyl alcohol (112-53-8) + acetic acid (64-19-7,77671-22-8) → lauryl acetate (112-66-3)

Guidance literature:

With 1-methyl-3-butylimidazolium hydrogen sulfate-impregnated propylsulfonic acid-functionalized mesoporous silica SBA-15; at 25 - 30 ℃; for 40h; Neat (no solvent);

DOI:10.1039/c2cc17702a

Reference yield: 98.0%

1-dodecyl alcohol (112-53-8) + acetic anhydride (108-24-7) → lauryl acetate (112-66-3)

Guidance literature:

zeolite HSZ-360; In neat (no solvent); at 60 ℃; for 1h;

DOI:10.1016/S0040-4039(98)01244-1

Reference yield: 98.0%

1-dodecyl alcohol (112-53-8) + ethyl acetate (141-78-6) → lauryl acetate (112-66-3)

Guidance literature:

With iodine; for 2h; chemoselective reaction; Reflux;

DOI:10.1016/j.tetlet.2017.10.005

upstream raw materials:

1-dodecyl alcohol

acetic anhydride

silver(I) acetate

1-dodecylbromide

Downstream raw materials:

((Z)-2-Dodecyloxy-propenyl)-benzene

dodecane

Decyl-oxiran

1-dodecyl alcohol

Refernces

• 1、 Green et al.. "". . p. 533,535. Retrieved 1967.
• 2、 Ghosh, Santanu,Purkait, Anisha,Jana, Chandan K.. "Environmentally benign decarboxylative: N-, O-, and S-Acetylations and acylations". supporting information. p. 8721 - 8727. Retrieved 2020/12/30.
• 3、 Keshavarz, Mosadegh,Iravani, Nasir,Parhami, Abolfath. "Novel SO3H-functionalized polyoxometalate-based ionic liquids as highly efficient catalysts for esterification reaction". . p. 272 - 278. Retrieved 2019/04/25.