Isopropyl lactate

Base Information

• Chemical Name: Isopropyl lactate
• CAS No.: 63697-00-7
• Deprecated CAS: 73523-03-2
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 29181100
• European Community (EC) Number: 264-417-1,210-518-0
• DSSTox Substance ID: DTXSID70858732
• Nikkaji Number: J135.613E
• Mol file: 63697-00-7.mol

Synonyms:ISOPROPYL LACTATE;Isopropyl 2-hydroxypropanoate;617-51-6;propan-2-yl 2-hydroxypropanoate;Lactic acid, isopropyl ester;Propanoic acid, 2-hydroxy-, 1-methylethyl ester;1-Methylethyl 2-hydroxypropanoate;EINECS 210-518-0;BRN 1721360;AI3-00586;3-03-00-00479 (Beilstein Handbook Reference);Isopropyl S-(-)-lactate;2-hydroxy-propionic acid isopropyl ester;SCHEMBL141671;DTXSID70858732;2-Hydroxypropanoic acid isopropyl ester;LS-87478;FT-0655998;A834476

Chemical Property of Isopropyl lactate

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.622mmHg at 25°C
• Melting Point: 1 °C
• Refractive Index: n20/D 1.411(lit.)
• Boiling Point: 165.581 °C at 760 mmHg
• PKA: 13.27±0.20(Predicted)
• Flash Point: 57.221 °C
• PSA: 46.53000
• Density: 1.022 g/cm³
• LogP: 0.31880
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 98.5

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 66-41-37
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)O

Technology Process of Isopropyl lactate

There total 7 articles about Isopropyl 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: 60.6%

L-Lactic acid (79-33-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + isopropyl alcohol (67-63-0,8013-70-5) → (S)-isopropyl lactate (63697-00-7)

Guidance literature:

With sulfuric acid; at 140 ℃; for 12.25h; Cooling with ice;

Reference yield: 60.0%

(S)-isopropyl 2-acetoxypropanoate (1334227-57-4) + isopropyl alcohol (67-63-0,8013-70-5) → (S)-isopropyl lactate (63697-00-7)

Guidance literature:

With hydrogenchloride; Reflux;

DOI:10.1002/anie.201103348

Reference yield: 20.0%

isopropyl alcohol (67-63-0,8013-70-5) + L,L-dilactide (4511-42-6,26680-10-4,26969-66-4,615-95-2) → (S)-isopropyl lactate (63697-00-7)

Guidance literature:

With Ca[N(SiMe₃)2]2*2THF; In toluene; at 30 ℃; for 1h;

DOI:10.1039/b800308d

upstream raw materials:

isopropyl pyruvate

isopropyl alcohol

3,6-dimethyl-1,4-dioxane-2,5-dione

L,L-dilactide

Downstream raw materials:

bis[(S)-1-isopropoxycarbonylethyl] (E)-2,3-dibromobut-2-enedioate

2-benzyloxymethyl-4-isopropyl-5-(3-methoxy-phenylsulfanyl)-1H-imidazole

Refernces

• 1、 -. "ANTIVIRAL PRODRUGS OF TENOFOVIR". Page/Page column 30; 34; 35. . Retrieved 2018/09/26.
• 2、 Chen, Taotao,Ma, Xuebing,Wang, Xiaojia,Wang, Qiang,Zhou, Jinqin,Tang, Qian. "Organosoluble zirconium phosphonate nanocomposites and their supported chiral ruthenium catalysts: The first example of homogenization of inorganic-supported catalyst in asymmetric hydrogenation". experimental part. p. 3325 - 3335. Retrieved 2011/05/13.