Ethylene glycol di-N-butyrate

Base Information

• Chemical Name: Ethylene glycol di-N-butyrate
• CAS No.: 105-72-6
• Deprecated CAS: 4144-53-0
• Molecular Formula: C10H18 O4
• Molecular Weight: 202.251
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID90871589
• Nikkaji Number: J95.468C
• Wikidata: Q63399571
• ChEMBL ID: CHEMBL2268571
• Mol file: 105-72-6.mol

Synonyms:Ethylene glycol di-N-butyrate;105-72-6;Ethylene Glycol Dibutyrate;2-butanoyloxyethyl butanoate;ethane-1,2-diyl dibutyrate;Glycol Dibutyrate;Butanoic acid, 1,2-ethanediyl ester;ETHYLENEGLYCOLDI-N-BUTYRATE;ethane-1,2-diyl dibutanoate;Ethylene Dibutyrate;SCHEMBL104207;2-(Butyryloxy)ethyl butyrate #;CHEMBL2268571;DTXSID90871589;ETHYLENE GLYCOL DIBUTANOATE;butanoic acid 1,2-ethanediyl ester;MFCD00059412;CS-0205023;E0317;FT-0760512;D90481;Q63399571

Chemical Property of Ethylene glycol di-N-butyrate

Chemical Property:

• Melting Point: -80°C
• Refractive Index: 1.4220-1.4260
• Boiling Point: 240°Cat760mmHg
• Flash Point: 116.7°C
• PSA: 52.60000
• Density: 1.008g/cm³
• LogP: 1.67300
• Water Solubility.: 1.663g/L(25 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 157

Purity/Quality:

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

EthyleneGlycolDi-n-butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCCOC(=O)CCC
• Uses: Plasticizer.

Technology Process of Ethylene glycol di-N-butyrate

There total 6 articles about Ethylene glycol di-N-butyrate 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: 92.0%

ethylene glycol (107-21-1) + butyric acid (107-92-6) → ethylene glycol dibutyrate (105-72-6)

Guidance literature:

ammonium cerium(IV) nitrate; In chloroform; at 55 - 60 ℃;

DOI:10.1039/b005908k

Reference yield:

ethylene glycol (107-21-1) + butyryl chloride (141-75-3) → 2-hydroxyethyl butanoate (4219-46-9) + ethylene glycol dibutyrate (105-72-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1007/s11746-006-1194-y

Reference yield:

vinyl n-butyrate (123-20-6,24991-31-9) + ethylene glycol (107-21-1) → 2-hydroxyethyl butanoate (4219-46-9) + ethylene glycol dibutyrate (105-72-6)

Guidance literature:

With Ala₂₈₁Glu mutated Candida antarctica lipase B immobilized on Accurel beads; In tert-butyl methyl ether; Reagent/catalyst; Enzymatic reaction;

DOI:10.1039/c2cc34684b

upstream raw materials:

ethylene glycol

butyric acid

silver butyrate

ethylene dibromide

Downstream raw materials:

2-hydroxyethyl butanoate

butyric acid

Refernces

• 1、 Chiou, Shyh-Ying,Cheng, Yu-Ru,Lu, Chun-Ping,Lin, Yan-Fu,Lin, Long-Yau,Lin, Gialih. "Kinetics and quantitative structure-activity relationships for pseudomonas sp. Lipase-catalyzed hydrolysis of both monoesters and diesters of ethylene glycol". . p. 201 - 207. Retrieved 2006.
• 2、 Goswami,Chowdhury. "Ceric ammonium nitrate (CAN) - A useful catalyst for the rapid and high-yield esterification of carboxylic acids and alcohols with special reference to steroid and other multi-functional natural products". . p. 955 - 957. Retrieved 2007/10/03.