35670-93-0

Basic information

• Product Name: (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate
• Synonyms: (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate;6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol acetate;Acetic acid (7,7-dimethylbicyclo[3.1.1]hepta-2-ene-2-yl)methyl ester;Pina-2-ene-10-ol acetate
• CAS NO: 35670-93-0
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.27012
• EINECS: 252-663-2
• Mol File: 35670-93-0.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 243.2°Cat760mmHg
• Flash Point: 97.8°C
• Appearance: /
• Density: 1.009g/cm³
• CAS DataBase Reference: (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate(35670-93-0)
• EPA Substance Registry System: (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate(35670-93-0)

Safety Data

• Hazardous Substances Data: 35670-93-0(Hazardous Substances Data)

Usage

Description

(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate is a colorless liquid chemical compound with the molecular formula C12H18O2. It is derived from the esterification of (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol with acetic acid and is known for its pleasant, fruity odor.

Uses

Used in Flavor and Fragrance Industry:
(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate is used as a flavoring agent and fragrance in various consumer products, including perfumes, colognes, and personal care products. Its pleasant, fruity odor makes it a desirable component in these products.
Used in Food and Beverage Industry:
In addition to its use in the flavor and fragrance industry, (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate is also used as a flavoring agent in food and beverage products. Its fruity aroma adds a unique taste and scent to these products.
Regulatory Approval:
(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate is considered relatively safe for use and has been approved for use in various applications by regulatory authorities. This approval ensures that the compound meets safety standards and can be used in a wide range of products.

Upstream product

• 108-24-7 acetic anhydride 
• 515-00-4 myrtenol 
• 64-19-7 acetic acid 
• 546-67-8 lead(IV) tetraacetate 
• 121508-12-1 Tributyl-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en-2-ylmethyl)-stannane 
• 6712-78-3 myrtenol 
• 23516-38-3 β-pinene trans-epoxide 
• 111-55-7 ethylene glycol diacetate 
• 141-78-6 ethyl acetate 
• 75-36-5 acetyl chloride 
• 127-91-3 (1R,5R)-(+)-β-pinene 
• 1010824-89-1 (1S,5R)-2-(chloromethyl)-6,6-dimethyl-bicyclo[3.3.1]hept-2-ene 
• 6931-54-0 β-pinene oxide 
• 7785-70-8 (+)-α-pinene 

Downstream Products

• 4080-46-0 2⁽¹⁰⁾,3-pinadiene 
• 99-87-6 4-methylisopropylbenzene 

Relevant articles and documents

Scalable green approach toward fragrant acetates

The advantageous properties of ethylene glycol diacetate (EGDA) qualify it as a useful substitute for glycerol triacetate (GTA) for various green applications. We scrutinised the lipase-mediated acetylation of structurally diverse alcohols in neat EGDA furnishing the range of naturally occurring fragrant acetates. We found that such enzymatic system exhibits high reactivity and selectivity towards activated (homo) allylic and non-activated primary/secondary alcohols. This feature was utilised in the scalable multigram synthesis of fragrant (Z)-hex-3-en-1-yl acetate in 70percent yield. In addition, the Lipozyme 435/EGDA system was also found to be applicable for the chemo-selective acetylation of (hydroxyalkyl) phenols as well as for the kinetic resolution of chiral secondary alcohols. Lastly, its discrimination power was demonstrated in competitive experiments of equimolar mixtures of two isomeric alcohols. This enabled the practical synthesis of 1-pentyl acetate isolated as a single product in 68percent yield from the equimolar mixture of 1-pentanol and 3-pentanol.

Tunable microwave-assisted method for the solvent-free and catalyst-free peracetylation of natural products

Background: The peracetylation is a simple chemical modification that can be used to enhance the bioavailability of hydrophilic products and to obtain safe and stable pro-drugs. Results: A totally green, solvent-free and catalyst-free microwave (MW)-assisted method for peracetylation of natural products such as oleuropein, alpha-hederin, quercetin and rutin is presented. By simply tuning the MW heating program, polyols with chemical diverse -OH groups or thermolabile functionalities can be peracetylated to improve the biological activity without degradation of the natural starting molecules. An evaluation of the process greenness was performed. Conclusion: The method is potentially universally applicable for green acetylation of hydrophilic biological molecules, potentially easily scalable for industrial applications, including pharmaceutical, cosmetic and food industry.

Preparation and utilization of perillyl acetate

Perillyl acetate is a fragrance compound that was prepared by the reaction of β-pinenoxide with acetic anhydride and using acetic acid as an acid catalyst. Several selected catalysts were tested (homogenous: phosphoric acid, boric acid, acetic acid, and citric acid; heterogeneous: zeolite USY, SSA, and montmorillonite K-10) and the reaction conditions optimized for this reaction. The yield 78.7 % of perillyl acetate was obtained. Mayol (4- isopropylcyclohexylmethanol), a valuable fragrance compound, was further obtained by a two-step synthesis from perillyl acetate. Firstly, perillyl acetate was saponified to perillyl alcohol. The yield of alcohol was 94.4 %. The last step of the entire preparation was the hydrogenation of perillyl alcohol to Mayol. The yield of the desired product of this reaction was 94.6 %. Springer Science+Business Media B.V. 2012.