Cas no 326-61-4 ((2H-1,3-benzodioxol-5-yl)methyl acetate)

(2H-1,3-Benzodioxol-5-yl)methyl acetate is a synthetic organic compound featuring a benzodioxole core functionalized with an acetoxymethyl group at the 5-position. This structure imparts reactivity suitable for use as an intermediate in pharmaceutical and agrochemical synthesis. The compound’s acetoxymethyl moiety enhances its solubility in organic solvents, facilitating further derivatization. Its benzodioxole scaffold contributes to stability under various reaction conditions, making it a versatile building block for heterocyclic chemistry. The product is typically characterized by high purity, ensuring consistent performance in applications such as cross-coupling reactions or as a precursor for bioactive molecules. Proper handling under inert conditions is recommended to preserve its integrity.
(2H-1,3-benzodioxol-5-yl)methyl acetate structure
326-61-4 structure
Product Name:(2H-1,3-benzodioxol-5-yl)methyl acetate
CAS No:326-61-4
MF:C10H10O4
MW:194.184003353119
MDL:MFCD00014574
CID:36853
PubChem ID:87560865
Update Time:2025-08-04

(2H-1,3-benzodioxol-5-yl)methyl acetate Chemical and Physical Properties

Names and Identifiers

    • Piperonyl acetate
    • (3,4-Methylenedioxy)benzyl acetate
    • 1,3-Benzodioxol-5-ylmethyl acetate
    • 3,4-Methylenedioxybenzyl Acetate
    • Acetic Acid Piperonyl Ester
    • EINECS 206-312-5
    • Essigsaeure-piperonylester
    • FEMA No. 2912
    • Heliotropin acetate
    • Heliotropyl acetate
    • Piperonyl alcohol,acetate
    • (2H-1,3-benzodioxol-5-yl)methyl acetate
    • MDL: MFCD00014574
    • Inchi: 1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3
    • InChI Key: PFWYHTORQZAGCA-UHFFFAOYSA-N
    • SMILES: CC(OCC1C=C2C(OCO2)=CC=1)=O

Computed Properties

  • Exact Mass: 194.05800
  • Monoisotopic Mass: 194.057909
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 216
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 44.8

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.227
  • Melting Point: 51°C
  • Boiling Point: 154°C/14mmHg(lit.)
  • Flash Point: 113 oC
  • Refractive Index: 1.5265
  • Stability/Shelf Life: Stable. Combustible.
  • PSA: 44.76000
  • LogP: 1.47840
  • FEMA: 2912 | PIPERONYL ACETATE
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

(2H-1,3-benzodioxol-5-yl)methyl acetate Security Information

  • Prompt:warning
  • Signal Word:warning
  • Hazard Statement: H303
  • Warning Statement: P312
  • WGK Germany:2
  • Safety Instruction: H303+H313+H333
  • RTECS:AI9050000
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

(2H-1,3-benzodioxol-5-yl)methyl acetate Customs Data

  • HS CODE:2915390090
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(2H-1,3-benzodioxol-5-yl)methyl acetate Pricemore >>

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(2H-1,3-benzodioxol-5-yl)methyl acetate Production Method

(2H-1,3-benzodioxol-5-yl)methyl acetate Related Literature

Additional information on (2H-1,3-benzodioxol-5-yl)methyl acetate

(2H-1,3-Benzodioxol-5-yl)methyl Acetate: A Comprehensive Overview

The compound with CAS No. 326-61-4, commonly referred to as (2H-1,3-benzodioxol-5-yl)methyl acetate, is a notable organic compound with a unique structure and diverse applications. This compound belongs to the class of aromatic esters, characterized by its benzodioxole ring system and an acetyl group attached to the methyl chain. The molecule's structure is defined by a benzene ring fused with a dioxole ring, creating a bicyclic framework that contributes to its distinctive chemical properties.

(2H-1,3-Benzodioxol-5-yl)methyl acetate is synthesized through various methods, including nucleophilic acyl substitution and esterification reactions. Recent advancements in synthetic chemistry have enabled the development of more efficient and environmentally friendly synthesis pathways for this compound. For instance, researchers have explored the use of catalytic systems and green solvents to minimize waste and improve yields during the production process.

The chemical properties of (2H-1,3-benzodioxol-5-yl)methyl acetate make it a valuable compound in several industries. Its aromaticity and ester functionality render it suitable for applications in pharmaceuticals, agrochemicals, and specialty chemicals. In the pharmaceutical sector, this compound has been investigated for its potential as a drug intermediate or as a component in bioactive molecules. Recent studies have highlighted its role in the synthesis of anti-inflammatory agents and antioxidants, underscoring its importance in drug discovery.

In addition to its pharmacological applications, (2H-1,3-benzodioxol-5-yl)methyl acetate has found utility in the field of materials science. Its ability to form stable ester linkages makes it a candidate for use in polymer synthesis and as a precursor for advanced materials. Researchers have also explored its potential as a building block for constructing complex molecular architectures, leveraging its structural versatility.

From an environmental perspective, understanding the behavior of (2H-1,3-benzodioxol-5-yl)methyl acetate in various ecosystems is crucial for assessing its safety and sustainability. Recent environmental studies have focused on its biodegradation pathways and toxicity profiles. These studies aim to ensure that the compound's production and application align with eco-friendly practices and regulatory standards.

In conclusion, (2H-1,3-benzodioxol-5-yl)methyl acetate (CAS No. 326-61-4) stands out as a significant compound with multifaceted applications across diverse fields. Its unique chemical structure, coupled with ongoing research into its synthesis and applications, positions it as a key player in modern chemistry. As scientific advancements continue to unfold, the potential of this compound is expected to expand further, contributing to innovative solutions in pharmaceuticals, materials science, and beyond.

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