79604-66-3

Basic information

• Product Name: 2,4,6-TRIMETHYL-1,6-HEPTADIEN-4-OL
• Synonyms: 2,4,6-TRIMETHYL-1,6-HEPTADIEN-4-OL;diisobutenyl methyl carbinol
• CAS NO: 79604-66-3
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25
• Mol File: 79604-66-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 221.8°Cat760mmHg
• Flash Point: 83.2°C
• Appearance: /
• Density: 0.852g/cm³
• Vapor Pressure: 0.0216mmHg at 25°C
• Refractive Index: 1.454
• PKA: 14.74±0.29(Predicted)
• CAS DataBase Reference: 2,4,6-TRIMETHYL-1,6-HEPTADIEN-4-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRIMETHYL-1,6-HEPTADIEN-4-OL(79604-66-3)
• EPA Substance Registry System: 2,4,6-TRIMETHYL-1,6-HEPTADIEN-4-OL(79604-66-3)

Safety Data

• Hazardous Substances Data: 79604-66-3(Hazardous Substances Data)

Usage

General Description

2,4,6-Trimethyl-1,6-heptadien-4-ol is a chemical compound with the molecular formula C10H18O. It is a colorless, clear liquid with a strong odor. 2,4,6-Trimethyl-1,6-heptadien-4-ol is commonly used as a flavoring and fragrance agent in the food and cosmetic industries. It is also used as an intermediate in the synthesis of various organic compounds. Additionally, 2,4,6-Trimethyl-1,6-heptadien-4-ol has been studied for its potential antimicrobial and antioxidant properties. It is important to handle and use this compound with caution, as it may be irritating to the skin, eyes, and respiratory system.

InChI:InChI=1/C10H18O/c1-8(2)6-10(5,11)7-9(3)4/h11H,1,3,6-7H2,2,4-5H3

Upstream product

• 563-47-3 3-Chloro-2-methylpropene 
• 79-20-9 acetic acid methyl ester 

Downstream Products

• 60836-07-9 2,4,6-trimethyl-heptan-4-ol 

Relevant articles and documents

Highly diastereoselective intramolecular allylation reactions of mixed silyl-substituted acetals

The reaction of preformed mixed acetals derived from (α-hydroxyalkyl)dimethylallylsilane with a number of aromatic and aliphatic aldehydes in the presence of Lewis acids results in a highly diastereoselective intramolecular allylation reaction. The reaction proceeds through a cyclic synclinal SE′ addition of the allylsilane to an intermediate oxocarbenium ion. The reaction occurs exclusively by an intramolecular process as determined by means of a cross-over experiment. The relative stereochemistry was determined by the conversion of one of the allylation products to a known (stereodefined) aldol-type product. A greater degree of diastereoselectivity is obtained by in-situ formation of an oxocarbenium ion from (α-hydroxyhexyl)dimethylallylsilane and an aldehyde in the presence of boron trifluoride etherate. The diastereoselectivity of the in-situ allylation reaction typically exceeds 100:1 in favor of the syn adduct. However, reactions with electron rich aryl aldehydes resulted in a diminished degree of diastereoselectivity. The initial product of the in-situ reaction is an unstable silyl fluoride which is readily hydrolyzed to a silanol derivative upon reaction with methanolic potassium hydroxide. The overall yield of the two-step process is greater than 80%. A method for the synthesis of more highly substituted (α-alkoxyalkyl)dimethylallylsilanes by allyl anion displacement of methoxide from silicon is also described. The methyl siloxane derivatives were obtained by ozonolytic cleavage of an unsubstituted allyl group in methanol.