Hexyl lactate

Base Information

• Chemical Name: Hexyl lactate
• CAS No.: 20279-51-0
• Molecular Formula: C9H18O3
• Molecular Weight: 174.24
• European Community (EC) Number: 243-676-4
• UNII: U5BDB081FM
• DSSTox Substance ID: DTXSID90864931
• Nikkaji Number: J268.499C
• Wikidata: Q27894346
• Mol file: 20279-51-0.mol

Synonyms:Hexyl lactate;hexyl 2-hydroxypropanoate;20279-51-0;Propanoic acid, 2-hydroxy-, hexyl ester;Hexyl DL-lactate;U5BDB081FM;EINECS 243-676-4;AI3-00590;Milchsaure-n-hexyl-ester;Hexyl 2-hydroxypropionate;UNII-U5BDB081FM;SCHEMBL505594;LACTIC ACID, HEXYL ESTER;KDPXOGYCOOUWOS-UHFFFAOYSA-;DTXSID90864931;ETHANOL, 2-BUTOXY-, LACTATE;AKOS006272819;FT-0627053;Q27894346

Chemical Property of Hexyl lactate

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.0247mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 219.7 °C at 760 mmHg
• PKA: 13.09±0.20(Predicted)
• Flash Point: 87.4 °C
• PSA: 46.53000
• Density: 0.976 g/cm³
• LogP: 1.49070
• Water Solubility.: 2.7g/L(25 oC)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

HEXYL 2-HYDROXYPROPANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)C(C)O

Technology Process of Hexyl lactate

There total 7 articles about Hexyl lactate 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:

LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + n-heptan1ol (111-70-6) → n-hexyl lactate (20279-51-0)

Guidance literature:

In benzene; Dean-Stark;

DOI:10.1134/S0036024419020213

Reference yield:

methyl lactate (547-64-8,2155-30-8) + hexan-1-ol (111-27-3) → n-hexyl lactate (20279-51-0)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01161a018

Reference yield:

LACTIC ACID (849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + hexan-1-ol (111-27-3) → n-hexyl lactate (20279-51-0)

Guidance literature:

With sulfuric acid; at 120 ℃; for 8h; Molecular sieve;

DOI:10.1021/bm1003674

upstream raw materials:

methyl lactate

hexan-1-ol

sodium lactate

calcium lactate

Downstream raw materials:

diethylene glycol-O.O-dicarboxylic acid bis-(1-carbohexyloxy-ethyl ester)

Refernces

• 1、 -. "Natural preservatives". Paragraph 0085; 0086. . Retrieved 2016/12/26.
• 2、 Ohara, Hitomi,Onogi, Akihisa,Yamamoto, Masafumi,Kobayashi, Shiro. "Lipase-catalyzed oligomerization and hydrolysis of alkyl lactates: Direct evidence in the catalysis mechanism that enantioselection is governed by a deacylation step". experimental part. p. 2008 - 2015. Retrieved 2011/03/22.