18720-65-5

Basic information

• Product Name: 5-METHYL-3-HEPTANOL
• Synonyms: 5-methylheptan-3-ol;3-METHYL-5-HEPTANOL;5-METHYL-3-HEPTANOL;5-methyl-3-heptanol95+%;3-Heptanol, 5-methyl-;Ai3-28629;Einecs 242-531-2;5-methyl-heptan-3-ol
• CAS NO: 18720-65-5
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• EINECS: 242-531-2
• Mol File: 18720-65-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: -91 °C
• Boiling Point: 153 °C
• Flash Point: 64.2 °C
• Appearance: /
• Density: 0.83
• Vapor Pressure: 0.558mmHg at 25°C
• Refractive Index: 1.4260 to 1.4290
• PKA: 15.28±0.20(Predicted)
• CAS DataBase Reference: 5-METHYL-3-HEPTANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-3-HEPTANOL(18720-65-5)
• EPA Substance Registry System: 5-METHYL-3-HEPTANOL(18720-65-5)

Safety Data

• Hazardous Substances Data: 18720-65-5(Hazardous Substances Data)

Usage

General Description

5-Methyl-3-heptanol, also known as isopropyl amyl alcohol, is a chemical compound with the molecular formula C8H18O. It is a colorless liquid with a strong, fruity odor and is commonly used as a flavoring agent in the food industry. 5-METHYL-3-HEPTANOL is found in a variety of natural sources, including fruits and flowers, and is also used in the production of perfumes and cosmetics. Additionally, 5-methyl-3-heptanol is utilized as a solvent in the manufacturing of paints, coatings, and cleaning products. Its unique chemical structure and properties make it a versatile and valuable compound in a wide range of industries.

InChI:InChI=1/C8H18O/c1-4-7(3)6-8(9)5-2/h7-9H,4-6H2,1-3H3

Upstream product

• 1190-34-7 5-methyl-hept-5-en-3-one 
• 1447-26-3 5-methyl-4-hepten-3-one 
• 78-92-2 iso-butanol 
• 60-29-7 diethyl ether 
• 925-90-6 ethylmagnesium bromide 
• 4968-53-0 acetic acid-(3-bromo-but-1-enyl ester) 
• 123-38-6 propionaldehyde 
• 40560-29-0 (S)-2-methylbutyl chloride 
• 42072-57-1 (S)-3-ethyl-5-methyl-heptan-3-ol 
• 39121-37-4 5-hydroxy-5-methyl-heptan-3-one 
• 541-85-5 5-methyl-3-heptanone 
• 78-93-3 butanone 
• 59082-40-5 (S)-3-ethyl-5-methyl-hept-2-ene 

Downstream Products

• 541-85-5 5-methyl-3-heptanone 

Relevant articles and documents

Efficient conversion of ethanol to 1-butanol and C5-C9 alcohols over calcium carbide

Production of 1-butanol or alcohols with 4-9 carbon atoms (C4-C9 alcohols) from widely available bio-ethanol has attracted much interest in recent years in academia and industry of renewable chemicals and liquid fuels. This work discloses for the first time that calcium carbide (CaC2) has a superior catalytic activity in condensation of ethanol to C4-C9 alcohols at 275-300 °C. The 1-butanol yield reached up to 24.5% with ethanol conversion of 62.4% at the optimized conditions. The by-products are mainly alcohols with 5-9 carbons besides 2-butanol, and the total yield of all the alcohols reached up to 56.3%. The reaction route was investigated through controlled experiments and quantitative analysis of the products. Results indicated that two reaction routes, aldol-condensation and self-condensation, took place simultaneously. The aldol-condensation route involves coupling of ethanol with acetaldehyde (formed from ethanol dehydrogenation) to form 2-butenol, which is subsequently hydrogenated to 1-butanol. The alkynyl moiety in CaC2 plays an important role in the catalytic pathways of both routes and affords the good activity of CaC2. CaC2 is converted to acetylene [C2H2] and calcium hydroxide [Ca(OH)2] simultaneously by the H2O that was generated from the condensation of alcohols.

Efficient catalytic reduction of ketones with formic acid and ruthenium complexes

The ruthenium complex (η5-C4Ph4COHOC4Ph4-η5)( μ-H)(CO)4Ru2 and its phenyl ring-substituted derivatives were found to act as efficient catalysts in reduction reactions of aldehydes and ketones to alcohols, using formic acid as H source. Excess formic acid accelerates the reaction, and the corresponding formate esters were isolated as sole products. Turnover numbers of up to 8000 (alcohols) and 11000 (formate esters) were attained, with yields in the order of 90%. Alkenes are not reactive, however, double bonds conjugated to a carbonyl group are selectively reduced under the reaction conditions. The reaction is compatible with a variety of ketones, but with aliphatic aldehydes the reaction is not selective, inasmuch as aldol condensation products are formed.