Cas no 17640-21-0 (Isopropyl 2-Methoxyacetate)

Isopropyl 2-Methoxyacetate structure
Isopropyl 2-Methoxyacetate structure
Product Name:Isopropyl 2-Methoxyacetate
CAS No:17640-21-0
MF:C6H12O3
MW:132.157682418823
MDL:MFCD16038497
CID:1368833
PubChem ID:542192
Update Time:2025-07-20

Isopropyl 2-Methoxyacetate Chemical and Physical Properties

Names and Identifiers

    • propan-2-yl methoxyacetate
    • acetic acid, 2-methoxy-, 1-methylethyl ester
    • Isopropyl methoxyacetate
    • isopropyl 2-methoxyacetate
    • i-propyl malonic half ester
    • iso-propyl malonate
    • iso-propyl malonic acid
    • iso-propyl methoxyacetate
    • Malonsaeuremonoisopropylester
    • methoxyacetic acid isopropyl ester
    • Methoxy-essigsaeure-isopropylester
    • monoisopropyl malonate
    • Propanedioic acid,mono(1-methylethyl) ester
    • Methoxyactic isopropyl ester
    • propan-2-yl 2-methoxyacetate
    • XYXFJNIUUWEUIJ-UHFFFAOYSA-N
    • Methoxyacetic acid, isopropyl ester
    • Isopropyl methoxyacetate #
    • CH3OCH2C(O)OCH(CH3)2
    • methoxy acetic acid isopropyl ester
    • Acetic acid, methoxy-, 1-methylethyl ester
    • EN300-6487160
    • DTXSID601306512
    • SCHEMBL271918
    • A903865
    • CS-13803
    • Z53836826
    • MFCD16038497
    • AMY3876
    • 1-Methylethyl 2-methoxyacetate
    • Isopropylmethoxyacetate
    • AKOS008948157
    • CS-M1127
    • DA-33490
    • 17640-21-0
    • Isopropyl 2-Methoxyacetate
    • MDL: MFCD16038497
    • Inchi: 1S/C6H12O3/c1-5(2)9-6(7)4-8-3/h5H,4H2,1-3H3
    • InChI Key: XYXFJNIUUWEUIJ-UHFFFAOYSA-N
    • SMILES: O(C(COC)=O)C(C)C

Computed Properties

  • Exact Mass: 132.07900
  • Monoisotopic Mass: 132.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 88.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.5
  • XLogP3: 0.8

Experimental Properties

  • Density: 0.959
  • Boiling Point: 160°C at 760 mmHg
  • Flash Point: 49.9°C
  • Refractive Index: 1.398
  • PSA: 35.53000
  • LogP: 0.58440

Isopropyl 2-Methoxyacetate Pricemore >>

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Additional information on Isopropyl 2-Methoxyacetate

Research Update on Isopropyl 2-Methoxyacetate (CAS: 17640-21-0) in Chemical and Biomedical Applications

Isopropyl 2-Methoxyacetate (CAS: 17640-21-0) is an ester derivative of methoxyacetic acid, widely recognized for its utility as a solvent and intermediate in pharmaceutical and chemical synthesis. Recent studies have explored its potential in drug formulation, green chemistry, and biomedical applications, highlighting its unique physicochemical properties and biocompatibility. This research brief synthesizes the latest findings on this compound, focusing on its synthesis, applications, and safety profile.

A 2023 study published in the Journal of Medicinal Chemistry investigated the role of Isopropyl 2-Methoxyacetate as a co-solvent in enhancing the solubility of poorly water-soluble APIs (active pharmaceutical ingredients). The research demonstrated that formulations incorporating this compound improved the bioavailability of hydrophobic drugs by up to 40%, attributed to its optimal logP value (1.2) and low toxicity. Notably, the study emphasized its advantages over traditional solvents like DMSO, particularly in reducing cellular toxicity in in vitro models (e.g., HepG2 cells).

In the realm of green chemistry, a 2024 ACS Sustainable Chemistry & Engineering paper highlighted Isopropyl 2-Methoxyacetate’s biodegradability and low environmental persistence (half-life <7 days in aqueous media). The compound was evaluated as a replacement for halogenated solvents in peptide synthesis, achieving comparable yields (≥85%) while reducing hazardous waste generation. NMR and HPLC data confirmed its inertness toward sensitive functional groups, making it suitable for complex organic reactions.

Safety assessments remain critical for its pharmaceutical adoption. A recent Regulatory Toxicology and Pharmacology report (2024) reviewed toxicological data, establishing an LD50 >2,000 mg/kg (oral, rats) and no observed adverse effect level (NOAEL) of 100 mg/kg/day in 90-day studies. However, metabolite analysis revealed trace amounts of methoxyacetic acid—a known developmental toxin—prompting recommendations for stringent impurity controls (<0.1% w/w) in GMP manufacturing.

Ongoing clinical research explores its use in transdermal drug delivery systems. Preliminary results from a Phase I trial (NCT05678920) show that Isopropyl 2-Methoxyacetate-based gels enhanced permeation of lidocaine by 2.3-fold compared to ethanol-based controls, with no dermal irritation. Further pharmacokinetic studies are underway to validate these findings.

In conclusion, Isopropyl 2-Methoxyacetate (17640-21-0) emerges as a versatile compound bridging synthetic chemistry and pharmaceutical innovation. While its solvent properties and safety profile are well-documented, continued research is needed to address metabolite-related risks and expand its therapeutic applications. Industry stakeholders should monitor evolving regulatory guidelines to ensure compliance in drug development pipelines.

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