Methyl 1,3-benzodioxol-5-ylacetate

Basic Information

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CAS Number

326-59-0

Molecular Formula

C10H10O4

Molecular Weight

194.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

278.3 ºC

Flash Point

120.0 ºC

Refractive Index

1.5430 (estimate)

SMILES

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COC(=O)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C10H10O4/c1-12-10(11)5-7-2-3-8-9(4-7)14-6-13-8/h2-4H,5-6H2,1H3

InChIKey

HEMYXNDMAAOTCK-UHFFFAOYSA-N

LogP

1.1308

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

216

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5110-79-2
methyl (3,4-methylenedioxyphenyl)acetate
methyl 2-(1,3-benzodioxol-5-yl)acetate
326-59-0
Methyl 2-(2H-1,3-benzodioxol-5-yl)acetate
methyl 2-benzo[1,3]dioxol-5-ylacetate
DTXSID50295747
Methyl 1,3-Benzodioxole-5-acetate
1,3-Benzodioxol-5-yl-acetic acid methyl ester
NSC-105308
1,3-Benzodioxole-5-acetic acid, methyl ester
Methyl 3,4-methylenedioxyphenylacetate
Methyl homopiperonylate
SCHEMBL1744784
KE-0750
1,3-Benzodioxole-5-acetic acid methyl ester
Benzo[1,3]dioxol-5-yl-acetic acid m ethyl ester
NSC105308
MFCD08753503
AKOS000295889
[3,4-(Methylenedioxy)phenyl]acetic Acid Methyl Ester
Methyl 2-(benzo[d][1,3]dioxol-5-yl)acetate
J-521858
benzo[1,3]dioxol-5-yl-acetic acid methyl ester
methyl (3 ,4-methylened ioxyphenyl)acetate
EN300-732996
J-018823
CS-0217301
FT-0662563
methyl 3,4-(methylenedioxy) phenylacetate
Methyl 2-(1,3-dioxaindan-5-yl)acetate

MDL Number

MFCD08753503

Customs Code

2932999099

FAQ

What regulatory guidelines apply to Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0)?

Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0) should comply with the regulations of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and FDA/EPA guidelines for chemical safety. Users must ensure proper labeling, storage, and disposal to meet these regulatory standards.

Are there alternatives to Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0) in synthesis?

Several alternatives can be used in the synthesis of Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0), such as methyl 1,3-benzodioxol-5-ylacetamide or methyl 1,3-benzodioxol-5-ylcarboxylate. These compounds can offer similar functionalities with varying degrees of reactivity and solubility.

What is the market or research trend for Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0)?

The market for Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as a precursor in the synthesis of complex organic molecules and its potential as an intermediate in the development of new drugs and crop protection agents.

How should waste containing Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0) be handled?

Waste containing Methyl 1,3-benzodioxol-5-ylacetate (CAS: 326-59-0) should be collected and stored in appropriate containers to prevent environmental contamination. Proper incineration or professional waste disposal services should be utilized to ensure safe and environmentally friendly disposal of the waste. Safety precautions, such as personal protective equipment and proper ventilation, must be observed during handling and disposal.