2051-32-3

Basic information

• Product Name: 3-ethyloctan-3-ol
• Synonyms: 3-ethyloctan-3-ol;amyldiethylcarbinol;3-Ethyloctane-3-ol
• CAS NO: 2051-32-3
• Molecular Formula: C₁₀H₂₂O
• Molecular Weight: 158.28108
• EINECS: 218-118-8
• Mol File: 2051-32-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: -1.53°C (estimate)
• Boiling Point: 199°C
• Flash Point: 81.1°C
• Appearance: /
• Density: 0.8360
• Vapor Pressure: 0.0764mmHg at 25°C
• Refractive Index: 1.4370
• PKA: 15.51±0.29(Predicted)
• CAS DataBase Reference: 3-ethyloctan-3-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ethyloctan-3-ol(2051-32-3)
• EPA Substance Registry System: 3-ethyloctan-3-ol(2051-32-3)

Safety Data

• Hazardous Substances Data: 2051-32-3(Hazardous Substances Data)

Usage

General Description

3-ethyloctan-3-ol, also known as 3-ethyl-3-octanol, is a chemical compound with the molecular formula C10H22O. It is a colorless liquid with a faint, sweet odor, and is commonly used as a flavoring agent in the food and beverage industry. 3-ethyloctan-3-ol is also used as a fragrance ingredient in cosmetics and personal care products. It is mainly produced through chemical synthesis and is considered to be a relatively low-toxicity substance. Additionally, it has been identified as a potential biofuel additive due to its favorable properties as a fuel component.

InChI:InChI=1/C10H22O/c1-4-7-8-9-10(11,5-2)6-3/h11H,4-9H2,1-3H3

Upstream product

• 925-90-6 ethylmagnesium bromide 
• 142-62-1 hexanoic acid 
• 10467-10-4 ethylmagnesium iodide 
• 106-70-7 methyl hexanoate 
• 1192-17-2 2,2-diethyloxirane 
• 109-72-8 n-butyllithium 
• 123-66-0 Ethyl hexanoate 

Downstream Products

• 19781-31-8 3-ethyl-oct-3-ene 
• 77388-83-1 3-ethyl-oct-2-ene 

Relevant articles and documents

Chemical and Spectroscopic Observations on the Properties and Composition of Higher Order, Mixed Organocuprates, R2Cu(CN)Li2

The nature of organocuprates of general formula R2Cu(CN)Li2, derived from CuCN and 2RLi, is described in terms of their structural integrity in solution.A combination of chemical and spectroscopic tests conclusively demonstrates facile dissociation-reassociation of alkyl groups on copper.Data derived from both IR and variable temperature NMR spectra suggest that different aggregation states between Et2O and THF based solutions of these reagents exist.

Substitution Reactions of Secondary Halides and Epoxides with Higher Order, Mixed Organocuprates, R2Cu(CN)Li2: Synthetic, Stereochemical, and Mechanistic Aspects

Higher order cuprates, represented by the general formula R2Cu(CN)Li2, are readily prepared from copper cyanide and 2 equiv of an organolithium.These novel reagents react readily and efficiently with secondary unactivated iodides and bromides affording products of substitution.Likewise, mono-, di-, and trisubstituted epoxides undergo ring opening leading to the corresponding alcohols in excellent yields.The effects of solvent, temperature, gegenion, and variations in ligands are discussed.Replacement of the second equivalent of RLi by CH3Li strongly encouragestransfer of R over CH3 in R(CH3)Cu(CN)Li2 with halides.Use of PhLi as RRLi in place of one RTLi (i.e.RT(Ph)Cu(CN)Li2) is suggested for oxirane cleavage.The stereochemical implications associated with both couplings are also addressed.