19841-72-6

Basic information

• Product Name: 2,2-DIMETHYL-3-OCTANOL
• Synonyms: N-AMYL TERT-BUTYL CARBINOL;2,2-DIMETHYL-3-OCTANOL;n-pentyl tert-butyl carbinol
• CAS NO: 19841-72-6
• Molecular Formula: C₁₀H₂₂O
• Molecular Weight: 158.28
• Mol File: 19841-72-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: -1.53°C (estimate)
• Boiling Point: 213.4°C (estimate)
• Flash Point: 82.5°C
• Appearance: /
• Density: 0.8454 (estimate)
• Vapor Pressure: 0.115mmHg at 25°C
• Refractive Index: 1.4320
• PKA: 15.44±0.20(Predicted)
• CAS DataBase Reference: 2,2-DIMETHYL-3-OCTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIMETHYL-3-OCTANOL(19841-72-6)
• EPA Substance Registry System: 2,2-DIMETHYL-3-OCTANOL(19841-72-6)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-37/39
• Hazardous Substances Data: 19841-72-6(Hazardous Substances Data)

Usage

General Description

2,2-DIMETHYL-3-OCTANOL is a chemical compound with the molecular formula C10H22O. It is classified as an alcohol and is commonly used as a fragrance ingredient in perfumes and personal care products. The chemical is a clear, colorless liquid with a mild, floral odor. It is derived from natural sources such as plants or animals, and it is also produced synthetically. 2,2-DIMETHYL-3-OCTANOL is known for its ability to enhance and blend fragrances, making it a popular choice for use in perfumes and colognes. Additionally, it is used in various industrial applications and as a flavoring agent in food products.

InChI:InChI=1/C10H22O/c1-5-6-7-8-9(11)10(2,3)4/h9,11H,5-8H2,1-4H3/t9-/m0/s1

Upstream product

• 594-19-4 tert.-butyl lithium 
• 66-25-1 hexanal 
• 111-29-5 1 ,5-pentanediol 
• 6393-56-2 pentylmagnesium chloride 
• 3282-30-2 pivaloyl chloride 
• 111-13-7 hexyl-methyl-ketone 

Downstream Products

• 87280-45-3 (4SR,5RS)-4-butyl-2,2-dimethyl-5-hydroxy-5-phenyl-3-pentanone 
• 87280-42-0 (4SR,5SR)-4-butyl-2,2-dimethyl-5-hydroxy-5-phenyl-3-pentanone 
• 87280-51-1 (4SR,5RS)-4-butyl-2,2-dimethyl-5-phenyl-5-(trimethylsilyl)oxy-3-pentanone 
• 87280-48-6 (4SR,5SR)-4-butyl-2,2-dimethyl-5-phenyl-5-(trimethylsilyl)oxy-3-pentanone 
• 5340-64-7 2,2-dimethyl-octan-3-one 

Relevant articles and documents

Effect of pretreatment conditions on acidity and dehydration activity of CeO2-MeOx catalysts

A series of MeOx-modified CeO2 (CeO2-MnOx, CeO2-ZnO, CeO2-MgO, CeO2-CaO, and CeO2-Na2O) catalysts were prepared by the impregnation of CeO2 with corresponding metal nitrates. Acidity and oxidation state of cerium were investigated on both oxidized and reduced catalysts by employing Fourier Transform Infrared spectroscopy (FTIR) on adsorbed pyridine and in situ H2-Temperature Programmed Reduction/X-ray Absorption Spectroscopy (H2-TPR/XAS) techniques, respectively. Metal oxide addition tended to alter both type and number of acid sites on ceria. EXAFS data showed a significant difference in NCe-O between unmodified and CeO2-MeOx, suggesting that added MeOx interferes with vacancy formation on ceria during reduction. In comparison with air-pretreated samples, H2-pretreated ones under similar conversion of 1,5 pentanediol exhibited a higher selectivity towards linear alcohols. Alcohol conversion found to correlate with total acidity (i.e., Br?nsted and Lewis). CeO2 benefited from the addition of alkali (Na) or alkaline earth metals (Mg, Ca) by producing unsaturated alcohols.

Acyclic Stereoselection. 17. Simple Diastereoselection in the Addition of Medium- and Long-Chain n-Alkyl Ketone Lithium Enolates to Aldehydes

The n-alkyl tert-butyl ketones 1b-d have been prepared and the stereochemistry of their aldol reaction with benzaldehyde has been investigated.As with ketone 1a, ketones 1b-d give Z-enolates that react with benzaldehyde in THF at -78 deg C to give syn aldols.When the aldol additions are carried out in pentane, the syn aldols are also the kinetic products, but syn-anti equilibration is much more rapid in this solvent; after reaction at 25 deg C for 20 min, ketones 1c and 1d give only the anti aldols 3c and 3d.Aldolate syn-anti equilibration becomes more facile as the size of the α-alkyl group increases.Ketone 14 has been prepared and employed in a synthesis of methyl (+/-)-isocorynomycolate; the crucial aldol addition, leading to β-hydroxyketones 15 and 16, proceeds with kinetic stereoselection of only 4.5:1.