6333-38-6

Basic information

• Product Name: 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI)
• Synonyms: 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI);Nsc38690;1,3-Benzodioxole,5-(3-Methyl-2-oxiranyl)-
• CAS NO: 6333-38-6
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.1846
• Product Categories: EPOXYDE
• Mol File: 6333-38-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 268.3°C at 760 mmHg
• Flash Point: 88.5°C
• Appearance: /
• Density: 1.276g/cm³
• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.574
• CAS DataBase Reference: 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI)(6333-38-6)
• EPA Substance Registry System: 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI)(6333-38-6)

Safety Data

• Hazardous Substances Data: 6333-38-6(Hazardous Substances Data)

Usage

General Description

1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI) is a chemical compound with the molecular formula C10H10O3. It is also known as safrole epoxide and is a colorless liquid with a faint odor. 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI) is commonly used in the production of fragrances, flavorings, and pharmaceuticals. It is also known to have insecticidal properties. However, it is important to note that this compound is derived from safrole, which is a precursor to the synthetic drug MDMA (ecstasy), and is therefore regulated in many countries due to its potential for abuse and associated health risks. Additionally, safrole has been listed as a carcinogen by the International Agency for Research on Cancer. Therefore, the use of 1,3-Benzodioxole,5-(3-methyloxiranyl)-(9CI) should be carefully regulated and its potential risks and applications should be thoroughly evaluated.

InChI:InChI=1/C10H10O3/c1-6-10(13-6)7-2-3-8-9(4-7)12-5-11-8/h2-4,6,10H,5H2,1H3

Upstream product

• 120-58-1 isosafrole 
• 4043-71-4 isosafrole 
• 104851-83-4 acetic acid-(1-benzo[1,3]dioxol-5-yl-2-chloro-propyl ester) 

Downstream Products

• 4676-39-5 1-(1,3-benzodioxol-5-yl)-2-propanone 

Relevant articles and documents

Production of piperonal, vanillin, and p-anisaldehyde via solventless supported iodobenzene diacetate oxidation of isosafrol, isoeugenol, and anethol under microwave irradiation

A novel experimental procedure to obtain carbonyl compounds under microwave irradiation from activated olefins and supported iodobenzene diacetate is described. By varying the reaction conditions it is possible to generate the corresponding aldehydes in reasonable-to-excellent yields and selectivities. The methodology is simple, clean, and reproducible and presents short reaction times. Using isosafrol, isoeugenol, and anethol it was possible to produce piperonal, vanillin and p-anisaldehyde, respectively.

Method for the isomerization of oxiranes

The method for the isomerization of oxiranes of the general formula: STR1 wherein R1 and R3 are hydrogen; R2 is alkyl or alkylene groups of 3 to 26 carbon atoms or the phenyl group which may also be substituted, and R4 is hydrogen or alkyl from 1 to 26 carbon atoms and in which the carbon atoms of the epoxy ring can also form components of a cyclic system, wherein as a catalyst there is used alkali iodide and a polyethyleneglycol with an average mol mass of 400 to 10,000 with a boiling point, preferably above the boiling point of the carbonyl compounds that are formed.

Electrochemical Procedure for a Practical Preparation of Piperonal from Isosafrole

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