41610-76-8

Basic information

• Product Name: 1-(3,4-epoxy-4-methylpentyl)-1-methylallyl acetate
• Synonyms: 1-(3,4-epoxy-4-methylpentyl)-1-methylallyl acetate;2,2-Dimethyl-3-(3-acetoxy-3-methyl-4-pentenyl)oxirane;Acetic acid 1-methyl-3-(3,3-dimethyloxiran-2-yl)-1-vinylpropyl ester
• CAS NO: 41610-76-8
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.2854
• EINECS: 255-459-1
• Mol File: 41610-76-8.mol
• Article Data: 24

Chemical Properties

• Boiling Point: 257.8°Cat760mmHg
• Flash Point: 106.5°C
• Appearance: /
• Density: 0.974g/cm³
• Vapor Pressure: 0.0143mmHg at 25°C
• Refractive Index: 1.451
• CAS DataBase Reference: 1-(3,4-epoxy-4-methylpentyl)-1-methylallyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3,4-epoxy-4-methylpentyl)-1-methylallyl acetate(41610-76-8)
• EPA Substance Registry System: 1-(3,4-epoxy-4-methylpentyl)-1-methylallyl acetate(41610-76-8)

Safety Data

• Hazardous Substances Data: 41610-76-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 34, p. 4657, 1993 DOI: 10.1016/S0040-4039(00)60649-4

InChI:InChI=1/C12H20O3/c1-6-12(5,14-9(2)13)8-7-10-11(3,4)15-10/h6,10H,1,7-8H2,2-5H3

Upstream product

• 115-95-7 linalool acetate 

Downstream Products

• 64708-28-7 2,2,5-trimethyl-4-cyclohepten-1-ol 
• 66521-02-6 (E)-10-hydroxy-4,10-dimethyl-dodeca-4,11-dien-2-one 
• 70130-98-2 4-Acetoxy-4-methyl-5-hexenyl-p-toluolsulfonat 
• 73815-21-1 3,7-dimethyloct-1-ene-3,6,7-triol 
• 76338-31-3 6-acetoxy-2-hydroxy-2,6-dimethyl-3-phenylseleno-octa-7-ene 
• 29210-77-3 2,6-dimethyloct-7-ene-2,6-diol 
• 74756-09-5 1α-hydroxy-2α-phenylseleno-trans-p-menth-8-ene 
• 76358-34-4 Trifluoro-acetic acid 1-((1R,3R,4S)-4-acetoxy-4-methyl-3-phenylselanyl-cyclohexyl)-1-methyl-ethyl ester 
• 76338-33-5 1α-acetoxy-2α-phenylseleno-trans-p-menthan-8-ol 
• 76338-32-4 Acetic acid (1R,2S,4S)-4-isopropenyl-1-methyl-2-phenylselanyl-cyclohexyl ester 
• 76338-37-9 1,8-diacetoxy-trans-p-menth-2-ene 
• 76338-36-8 1α-acetoxy-trans-p-menth-2-en-8-ol 
• 68754-14-3 1-acetoxy-trans-p-mentha-2,8-diene 

Relevant articles and documents

ANTIFUNGAL COMPOUNDS DERIVED FROM LAVENDER OIL

Epoxides and hydroperoxide compounds having antifungal activities derived from the oxidation linalyl acetate, a major component of lavender oil, are disclosed. Also, disclosed are pharmaceutical composition and methods of treating and protecting a subject from fungal infection.

Catalytic homogeneous oxidation of monoterpenes and cyclooctene with hydrogen peroxide in the presence of sandwich-type tungstophosphates [M4(H2O)2(PW9O34)2]n?, M = CoII, MnII and FeIII

Catalytic efficiency of tetrabutylammonium salts of sandwich tungstophosphates B‐α‐[M4(H2O)2(PW9O34)2]n?, M = CoII, MnII, FeIII, was studied in the oxidation of (R)-(+)-limonene, geraniol, linalool, linalyl acetate, carveol, and cis-cyclooctene with hydrogen peroxide, in acetonitrile. Oxidation of (R)-(+)-limonene gave limonene-1,2-diol as main product. Epoxidation of linalool takes place preferentially at the more substituted 6,7-double bond, the corresponding 6,7-epoxide reacting further, yielding furano- and pyrano-oxides, via intramolecular cyclization. Oxidation of linalyl acetate occurred preferentially at the more substituted 6,7-double bond for Mn4(PW9)2, affording 6,7-epoxide at 82% selectivity. Linalyl acetate 1,2-epoxide was the major product with 51% and 77% selectivity for Co4(PW9)2 and Fe4(PW9)2, respectively. Oxidation of carveol occurred with very good conversions in the presence of Mn4(PW9)2, Co4(PW9)2 and Fe4(PW9)2, yielding carvone and carveol 1,2-epoxide in similar amounts. Oxidation of cis-cyclooctene gave only the epoxide, while oxidation of geraniol at room temperature afforded 2,3-epoxygeraniol as the major product.

Rhodium acetate-catalyzed aerobic Mukaiyama epoxidation of alkenes

Mukaiyama epoxidation of alkenes under oxygen catalyzed by rhodium acetate with isobutyraldehyde as the reducing agent is as or more effective than previously reported procedures. A variety of alkenes, including terpenes and cholesterol derivatives, were oxidized. And high regioselectivity for monoepoxidation was observed with neryl, geranyl, and linalyl acetates.