Butyl glycolate

Base Information

• Chemical Name: Butyl glycolate
• CAS No.: 7397-62-8
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• European Community (EC) Number: 230-991-7
• UNII: 3H5QAS0HZX
• DSSTox Substance ID: DTXSID6044725
• Nikkaji Number: J39.924H
• Wikidata: Q27257204
• ChEMBL ID: CHEMBL3184386
• Mol file: 7397-62-8.mol

Synonyms:Butyl glycolate;7397-62-8;butyl 2-hydroxyacetate;Butyl hydroxyacetate;Acetic acid, hydroxy-, butyl ester;Butyl glycollate;glycolic acid butyl ester;n-butyl glycolate;UNII-3H5QAS0HZX;3H5QAS0HZX;Glycolic acid, butyl ester;Acetic acid, 2-hydroxy-, butyl ester;DTXSID6044725;EINECS 230-991-7;AI3-07975;EC 230-991-7;Butylglykolat;MFCD00042732;n-butyl hydroxyacetate;Butyl hydroxyacetate #;BUTOXYCARBONYLMETHANOL;hydroxyacetic acid butyl ester;SCHEMBL164123;BUTYL GLYCOLATE [INCI];CHEMBL3184386;DTXCID4024725;Tox21_301928;AKOS009157665;NCGC00256074-01;DS-11408;Butyl glycolate, technical, >=90% (GC);CAS-7397-62-8;CS-0152095;FT-0693115;D70201;A851721;Q27257204

Chemical Property of Butyl glycolate

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.227mmHg at 25°C
• Melting Point: -26ºC
• Refractive Index: 1.427
• Boiling Point: 183 °C at 760 mmHg
• PKA: 12.99±0.10(Predicted)
• Flash Point: 71.7 °C
• PSA: 46.53000
• Density: 1.027 g/cm³
• LogP: 0.32200
• Storage Temp.: 2-8°C
• Water Solubility.: 46g/L at 20℃
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

99% ^*data from raw suppliers

Butyl glycolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 63-41
• Safety Statements: 23-24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC(=O)CO
• Uses: Butyl glycolate may be used in the preparation of N-(α-hydroxyacetyl)-(S)-isoleucine.

Technology Process of Butyl glycolate

There total 10 articles about Butyl glycolate 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: 98.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + carbon monoxide (201230-82-2) + butan-1-ol (71-36-3) → butyl glycolate (7397-62-8)

Guidance literature:

formaldehyd; carbon monoxide; With 1,3,5-Trioxan; formic acid; sulfuric acid; In 1,4-dioxane; dichloromethane; at 120 ℃; under 67506.8 Torr;

butan-1-ol; In 1,4-dioxane; dichloromethane; at 160 ℃; for 40h; under 18001.8 Torr;

Reference yield: 92.0%

glycolic Acid (79-14-1) + butan-1-ol (71-36-3) → butyl glycolate (7397-62-8)

Guidance literature:

With ion exchange; at 120 ℃; pH=2; pH-value; Temperature; Reagent/catalyst;

Reference yield: 87.0%

1-bromo-butane (109-65-9) + glycolic Acid (79-14-1) → butyl glycolate (7397-62-8)

Guidance literature:

With triethylamine; for 1h; Heating; Inert atmosphere; Ionic liquid;

DOI:10.3906/kim-0904-39

upstream raw materials:

formaldehyd

butan-1-ol

glycolic Acid

glycolide

Downstream raw materials:

[(2,4,5-trichloro-phenoxy)-acetoxy]-acetic acid butyl ester

(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid butyl ester

2-hydroxy-N,N-dimethylacetamide

3-chloro-2-(2-fluoro-4-butyloxycarbonylmethoxy-5-nitrophenyl)-4,5,6,7-tetrahydro-2H-indazole

Refernces

• 1、 Portnova,Yamshchikova, Yu. F.,Krasnykh. "Retention Characteristics and Sorption Enthalpies of Esters of Natural Hydroxycarboxylic Acids on DB-1 Stationary Phase". . p. 577 - 583. Retrieved 2019/06/03.
• 2、 -. "Hydroxy acetic acid n-butyl catalytic synthesis method". Paragraph 0031; 0032; 0033; 0034; 0035; 0036; 0037-0049. . Retrieved 2017/09/23.