3525-25-5

Basic information

• Product Name: 3-ethylheptan-1-ol
• Synonyms: 3-ethylheptan-1-ol;Einecs 222-545-5
• CAS NO: 3525-25-5
• Molecular Formula: C₉H₂₀O
• Molecular Weight: 144.2545
• EINECS: 222-545-5
• Mol File: 3525-25-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 6.15°C (estimate)
• Boiling Point: 206.5°C
• Flash Point: 79.5°C
• Appearance: /
• Density: 0.8320
• Vapor Pressure: 0.102mmHg at 25°C
• Refractive Index: 1.4087 (estimate)
• PKA: 15.14±0.10(Predicted)
• CAS DataBase Reference: 3-ethylheptan-1-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ethylheptan-1-ol(3525-25-5)
• EPA Substance Registry System: 3-ethylheptan-1-ol(3525-25-5)

Safety Data

• Hazardous Substances Data: 3525-25-5(Hazardous Substances Data)

Usage

General Description

3-Ethylheptan-1-ol is a chemical compound with the molecular formula C9H20O. It is an alcohol and is derived from the heptane series of hydrocarbons. 3-ethylheptan-1-ol is primarily used in the production of fragrances, flavors, and perfumes due to its pleasant aroma. It is also used as a solvent in various industrial processes. 3-Ethylheptan-1-ol is a clear, colorless liquid with a mild, fruity odor. It is flammable and should be handled with care. This chemical is not known to be toxic, but it should still be used in a well-ventilated area and with proper protective equipment.

InChI:InChI=1/C9H20O/c1-3-5-6-9(4-2)7-8-10/h9-10H,3-8H2,1-2H3

Upstream product

• 165334-51-0 tert-Butyl-((S)-3-ethyl-heptyloxy)-dimethyl-silane 
• 42330-40-5 S-3-Ethylheptanoic Acid 
• 14272-47-0 3-ethylheptanoic acid 
• 18908-66-2 3-bromomethylheptane 
• 50-00-0 formaldehyd 
• 100962-98-9 2-(3-ethyl-heptyloxy)-tetrahydro-pyran 
• 1974-05-6 (-)(R)-3-bromo-heptane 
• 26549-25-7 S-(+)-3-heptanol 
• 198956-51-3 (3S)-2-Benzylheptane 
• 678991-33-8 E-(+)-(1'S,2'S)-N-methyl-N-(2'-phenyl-2'-hydroxy-1'-methylethyl)pent-2-enamide 
• 913962-62-6 (1'S,2'S,3S)-3-ethyl-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N-methylheptanamide 
• 86239-43-2 (-)(S)-3-ethyl-enanthic acid ethyl ester 

Downstream Products

• 52451-84-0 4-(3-Ethyl-heptyloxy)-2-oxo-cyclohex-3-enecarboxylic acid ethyl ester 
• 2570-97-0 3-ethylheptanal 
• 123-11-5 4-methoxy-benzaldehyde 

Relevant articles and documents

Preparation of 3(S)-Ethyl-Heptanoic Acid from (S)-Limonene A Chiron Approach

Optically active 3-ethyl-heptanoic acid is readily synthesized from limonene.

(S,S)-(+)-pseudoephedrine as chiral auxiliary in asymmetric conjugate addition and tandem conjugate addition/α-alkylation reactions

(Chemical Equation Presented) Organolithium reagents undergo highly regio- and diastereoselective 1,4-addition to (S,S)-(+)-pseudoephedrine enamides furnishing the corresponding β-alkyl-substituted adducts in excellent yields and diastereoselectivities. In addition, the intermediate lithium enolates generated after the conjugate addition step undergo a highly diastereoselective alkylation reaction, furnishing α,β-dialkyl- substituted amides in high yields. The obtained adducts have been converted into chiral nonracemic β-alkyl- and α,β-dialkyl-substituted carboxylic acids and γ-alkyl- and β,γ-dialkyl-substituted alcohols using very simple and high-yielding procedures.

Enantioselective carbolithiation of β-alkylated styrene

Stoichiometric or catalytic amounts of (-) sparteine serve as promoter for enantioselective carbolithiation of β-alkylated, non functionalized styrene.