3228-04-4

Basic information

• Product Name: NISTC3228044
• Synonyms: NISTC3228044;2-isopropyl-6-methylphenol;2-Methyl-6-(1-methylethyl)phenol;2-methyl-6-(propan-2-yl)phenol
• CAS NO: 3228-04-4
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.2176
• Mol File: 3228-04-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: -14.5°C
• Boiling Point: 225.5°C
• Flash Point: 95.6 °C
• Appearance: /
• Density: 0.9782
• Vapor Pressure: 0.0575mmHg at 25°C
• Refractive Index: 1.5239
• PKA: 10.83±0.10(Predicted)
• CAS DataBase Reference: NISTC3228044(CAS DataBase Reference)
• NIST Chemistry Reference: NISTC3228044(3228-04-4)
• EPA Substance Registry System: NISTC3228044(3228-04-4)

Safety Data

• RIDADR: 1759
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 3228-04-4(Hazardous Substances Data)

Usage

General Description

NISTC3228044 is a chemical substance with the molecular formula C10H16O2. It is a colorless liquid with a sweet, floral odor, and it is primarily used in the production of various fragrance and flavor products. This chemical is also known for its potential as an insect repellent and as an ingredient in formulations for personal care products. It is important to handle NISTC3228044 with caution as it may cause skin and eye irritation, and it should be stored in a well-ventilated area away from sources of ignition.

InChI:InChI=1/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3

Upstream product

• 67-56-1 methanol 
• 31202-09-2 2-isopropyl-6-methyl-anisole 
• 187737-37-7 propene 
• 95-48-7 ortho-cresol 
• 88-69-7 2-(1-methylethyl)phenol 
• 53621-45-7 S₂₉ 
• 859330-53-3 2-methoxy-1-methyl-3-(prop-1-en-2-yl)benzene 
• 91969-75-4 3-isopropyl-2-methoxybenzaldehyde 

Downstream Products

• 17603-88-2 2-isopropyl-6-methylcyclohexa-2,5-diene-1,4-dione 
• 133447-23-1 2-isopropyl-6-methylbenzene-1,4-diol 
• 650601-23-3 TiCl₂(OC₆H₃CH₃CH(CH₃)2)2 
• 1666-00-8 2-hydroxyl-3-isopropyl-6-methylbenzaldehyde 

Relevant articles and documents

Synthesis, Biological Evaluation, and Preliminary Structure-Activity Considerations of a Series of Alkylphenols as Intravenous Anesthetic Agents

Following our discovery of the intravenous (iv) anesthetic activity of 2,6-diethylphenol in mice, a series of alkylphenols was examined in this species and the most active analogues were further evaluated in rabbits.The synthesis of compounds which were not commercially available was accomplished by adaptations of standard ortho-alkylation procedures for phenols.Structure-activity relationships were found to be complex, but, in general, potency and kinetics appeared to be a function of both the lipophilic character and the degree of steric hindrance exerted by ortho substituents.The most interesting compounds were found in the 2,6-dialkyl series, and the greatest potency was associated with 2,6-di-sec-alkyl substitution.In particular, 2,6-diisopropylphenol (ICI 35868) emerged as a candidate for further development and has subsequently been shown to be an effective iv anesthetic agent in man.