Dibutyl adipate

Base Information

• Chemical Name: Dibutyl adipate
• CAS No.: 105-99-7
• Molecular Formula: C14H26O4
• Molecular Weight: 258.358
• Hs Code.: 2917.12
• European Community (EC) Number: 203-350-4
• ICSC Number: 1705
• NSC Number: 8086
• UN Number: 3082
• UNII: F4K100DXP3
• DSSTox Substance ID: DTXSID2021866
• Nikkaji Number: J5.048B
• Wikidata: Q27116222
• Metabolomics Workbench ID: 67553
• ChEMBL ID: CHEMBL3188143
• Mol file: 105-99-7.mol

Synonyms:dibutyl adipate

Chemical Property of Dibutyl adipate

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 0.00109mmHg at 25°C
• Melting Point: -32 °C
• Refractive Index: 1.4350 - 1.4360
• Boiling Point: 300.9 °C at 760 mmHg
• Flash Point: 135 °C
• PSA: 52.60000
• Density: 0.969 g/cm³
• LogP: 3.23340
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: 35mg/L at 25℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 202

Purity/Quality:

99.5%Min ^*data from raw suppliers

Dibutyl adipate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC(=O)CCCCC(=O)OCCCC
• Inhalation Risk: Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly on spraying.
• Effects of Short Term Exposure: The substance is mildly irritating to the skin.
• Uses: Dibutyl Adipate can be used as a plasticizer. Dibutyl adipate is used in cosmetic formulations as a plasticizer, a skin-conditioning agent, and a solvent .

Technology Process of Dibutyl adipate

There total 21 articles about Dibutyl adipate 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: 97.0%

C14H24O4 → adipic acid dibutyl ester (105-99-7)

Guidance literature:

With C₃₄H₃₂N₂Ru; hydrogen; In toluene; at 60 ℃; for 18h; under 7500.75 Torr; Autoclave;

DOI:10.1002/cctc.201800525

Reference yield: 96.5%

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + butan-1-ol (71-36-3) → adipic acid dibutyl ester (105-99-7)

Guidance literature:

With palladium(II) acetylacetonate; rhodium(III) acetylacetonate; C₃₂H₄₆N₂OP₂; toluene-4-sulfonic acid; In toluene; at 120 ℃; for 40h; under 37503.8 Torr; Reagent/catalyst; Inert atmosphere;

Reference yield: 93.0%

Adipic acid (124-04-9) + n-butyl formate (592-84-7) → Hexanedioic acid monobutyl ester (7529-33-1) + adipic acid dibutyl ester (105-99-7)

Guidance literature:

With Dowex 50Wx₂; In toluene; at 70 ℃; for 5.66667h;

DOI:10.1039/a902325i

upstream raw materials:

acrylic acid n-butyl ester

Adipic acid

carbonochloridic acid, butyl ester

butan-1-ol

Downstream raw materials:

n-butane

Adipic acid

Adipic acid dipotassium salt

Refernces

• 1、 Britton, Joshua,Dalziel, Stuart B.,Raston, Colin L.. "The synthesis of di-carboxylate esters using continuous flow vortex fluidics". . p. 2193 - 2200. Retrieved 2016.
• 2、 Maity, Pradip K.,Tunge, Jon A.. "Assisted Tandem Catalytic Conversion of Acrylates into Adipic Esters". . p. 3419 - 3423. Retrieved 2018.
• 3、 Grigor'Eva,Suleimanova,Agliullin,Kutepov. "Synthesis of carboxylic acid esters in the presence of micro- and mesoporous aluminosilicates". . p. 773 - 779. Retrieved 2014.
• 4、 Shin, Nara,Kwon, Sohyun,Moon, Sojeong,Hong, Chae Hwan,Kim, Young Gyu. "Ionic liquid-mediated deoxydehydration reactions: Green synthetic process for bio-based adipic acid". . p. 4758 - 4765. Retrieved 2017.
• 5、 Glazko,Gur'yanova,Levanova,Kozlova,Neiman. "Synthesis of esters of dioxane alcohols and their performance as plasticizers for polyvinyl chloride compounds". . p. 950 - 954. Retrieved 2005.
• 6、 -. "Method for preparing diacid diester compound under catalysis of deep eutectic solvent". Paragraph 0063-0066. . Retrieved 2021/05/19.
• 7、 -. "Diphosphine compound, catalyst system containing diphosphine compound and application of diphosphine compound". Paragraph 0108-0109; 0121-0122. . Retrieved 2021/03/13.