23418-37-3

Basic information

• Product Name: 4-METHYL-4-OCTANOL
• Synonyms: N-BUTYL METHYL N-PROPYL CARBINOL;4-METHYL-4-OCTANOL;4-Methyloctan-4-ol;4-Octanol, 4-methyl-;Nsc102785
• CAS NO: 23418-37-3
• Molecular Formula: C₉H₂₀O
• Molecular Weight: 144.25
• Mol File: 23418-37-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 6.15°C (estimate)
• Boiling Point: 82-83℃/18mm
• Flash Point: 71.1°C
• Appearance: /
• Density: 0.82
• Vapor Pressure: 0.217mmHg at 25°C
• Refractive Index: 1.4510
• PKA: 15.38±0.29(Predicted)
• CAS DataBase Reference: 4-METHYL-4-OCTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-4-OCTANOL(23418-37-3)
• EPA Substance Registry System: 4-METHYL-4-OCTANOL(23418-37-3)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-37
• Hazardous Substances Data: 23418-37-3(Hazardous Substances Data)

Usage

General Description

4-Methyl-4-octanol, also known as hexylstyrene, is a chemical compound with the molecular formula C10H22O. It is a colorless liquid with a characteristic pungent odor and is commonly used as a fragrance and flavoring agent in the production of perfumes, cosmetics, and food products. 4-Methyl-4-octanol is also used as a solvent and intermediate in the synthesis of other chemicals. It is considered to be relatively low in toxicity, but prolonged or high-level exposure to the vapors of 4-methyl-4-octanol can cause irritation to the respiratory system and skin. Overall, 4-methyl-4-octanol is a versatile chemical with various industrial applications.

InChI:InChI=1/C9H20O/c1-4-6-8-9(3,10)7-5-2/h10H,4-8H2,1-3H3/t9-/m0/s1

Upstream product

• 591-78-6 n-hexan-2-one 
• 10557-57-0 propylmagnesium iodide 
• 693-03-8 n-butyl magnesium bromide 
• 107-87-9 2-Pentanone 
• 693-04-9 butyl magnesium bromide 
• 64-17-5 ethanol 
• 39118-35-9 4-methyl-oct-7-en-5-yn-4-ol 
• 109-72-8 n-butyllithium 
• 109-65-9 1-bromo-butane 
• 6032-29-7 (+/-)-2-pentanol 

Downstream Products

• 36903-89-6 4-Chlor-4-methyl-octan 
• 2216-34-4 4-methyloctane 

Relevant articles and documents

Introducing deep eutectic solvents to polar organometallic chemistry: Chemoselective addition of organolithium and grignard reagents to ketones in air

Despite their enormous synthetic relevance, the use of polar organolithium and Grignard reagents is greatly limited by their requirements of low temperatures in order to control their reactivity as well as the need of dry organic solvents and inert atmosphere protocols to avoid their fast decomposition. Breaking new ground on the applications of these commodity organometallics in synthesis under more environmentally friendly conditions, this work introduces deep eutetic solvents (DESs) as a green alternative media to carry out chemoselective additions of ketones in air at room temperature. Comparing their reactivities in DES with those observed in pure water suggest that a kinetic activation of the alkylating reagents is taking place, favoring nucleophilic addition over the competitive hydrolysis, which can be rationalized through formation of halide-rich magnesiate or lithiate species. Turning lithium green: A new protocol for the selective addition of Grignard and organolithium reagents to ketones in green, biorenewable, and deep eutectic solvents (DESs) is reported. The protocol establishes a bridge between main-group organometallic compounds and green solvents (ChCl=choline chloride; see picture). The DESs are superior reaction media for highly polar organometallic compounds.