33045-02-2

Basic information

• Product Name: [1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate
• Synonyms: [1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate;(1R,5R,1β)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3β-ol acetate;Acetic acid [[1R,3S,5R,(+)]-pin-2(10)-en-3-yl] ester;Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate, (1R,3S,5R)-;Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)-;Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1theta-(1alpha,3alpha,5alpha))-;Einecs 251-357-6
• CAS NO: 33045-02-2
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.27012
• EINECS: 251-357-6
• Mol File: 33045-02-2.mol

Chemical Properties

• Boiling Point: 232.8°Cat760mmHg
• Flash Point: 85.7°C
• Appearance: /
• Density: 1.02g/cm³
• Vapor Pressure: 0.058mmHg at 25°C
• Refractive Index: 1.488
• CAS DataBase Reference: [1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: [1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate(33045-02-2)
• EPA Substance Registry System: [1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate(33045-02-2)

Safety Data

• Hazardous Substances Data: 33045-02-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
[1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate is used as an active pharmaceutical ingredient for its potential therapeutic applications. Its unique structure and properties make it a promising candidate for the development of new drugs.
Used in Fragrance Industry:
In the fragrance industry, [1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate is used as a key component in the creation of various scents. Its distinct chemical structure allows for the development of novel and complex fragrances.
Used in Flavorings Industry:
[1R-(1alpha,3alpha,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate is also utilized in the flavorings industry to enhance the taste and aroma of various food and beverage products. Its unique properties contribute to the development of innovative and appealing flavors.

InChI:InChI=1/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3

Upstream product

• 19894-98-5 6,6-dimethyl-2-methylene-bicyclo[3.1.1]heptan-3-ol 
• 108-24-7 acetic anhydride 
• 18172-67-3 beta-pinene 
• 64-19-7 acetic acid 
• 546-67-8 lead(IV) tetraacetate 

Downstream Products

• 71686-38-9 exo-isofenchyl alcohol 
• 534-34-9 (1R)-1,5,5-trimethyl-norbornane-2endo-ol 
• 39166-57-9 (+)-isopinocampheyl acetate 
• 23733-91-7 (R)-Δ^1(7).5.8.-o-Menthatrien 
• 33045-04-4 Acetic acid (S)-4-methyl-1-(1-methylene-allyl)-pent-3-enyl ester 
• 23747-22-0 1-<2-Methyl-propen-(1)-yl>-cyclohexadien-(1,3) 
• 56452-54-1 (+)-acetic acid p-mentha-1,8-dien-7-yl ester 

Relevant articles and documents

Allylic oxidation of alkenes catalyzed by a copper-aluminum mixed oxide

A strategy for the allylic oxidation of cyclic alkenes with a copper-aluminum mixed oxide as catalyst is presented. The reaction involves the treatment of an alkene with a carboxylic acid employing tert-butyl hydroperoxide as the oxidant. In all cases, the corresponding allylic esters are obtained. When l-proline is employed, the allylic alcohol or ketone is obtained. The oxidation of cyclohexene and valencene has been optimized by design of experiments (DoE) statistical methodology.