5451-80-9

Basic information

• Product Name: HEPTYL-VALERATE
• Synonyms: HEPTYL-VALERATE;39840N;ENT 30517;Heptyl pentanoate;pentanoicacid,heptylester;pentanoicacidheptylester;Valeric acid, heptyl ester
• CAS NO: 5451-80-9
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.32
• EINECS: 226-686-3
• Mol File: 5451-80-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: -46.4°C
• Boiling Point: 245.45°C
• Flash Point: 99°C
• Appearance: /
• Density: 0.8623
• Vapor Pressure: 0.0349mmHg at 25°C
• Refractive Index: 1.4254
• CAS DataBase Reference: HEPTYL-VALERATE(CAS DataBase Reference)
• NIST Chemistry Reference: HEPTYL-VALERATE(5451-80-9)
• EPA Substance Registry System: HEPTYL-VALERATE(5451-80-9)

Safety Data

• Hazardous Substances Data: 5451-80-9(Hazardous Substances Data)

Usage

Description

Heptyl valerate is an organic compound that belongs to the class of carboxylic acid esters. It is a colorless liquid with a fruity odor and is commonly used as a flavoring agent in the food and beverage industry. It is also utilized as a fragrance ingredient in perfumes and cosmetics, and employed as a solvent in various industrial applications. This chemical is considered to have low toxicity and is generally regarded as safe for use in the intended applications.

Uses

Used in Food and Beverage Industry:
Heptyl valerate is used as a flavoring agent for its fruity odor, enhancing the taste and aroma of various food and drink products.
Used in Perfumes and Cosmetics:
Heptyl valerate is used as a fragrance ingredient in perfumes and cosmetics, providing a pleasant and fruity scent to these products.
Used in Industrial Applications:
Heptyl valerate is used as a solvent in various industrial applications, such as in the production of cleaning agents, adhesives, and coatings. Its low toxicity and safety profile make it a suitable choice for these uses.

InChI:InChI=1/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3

Upstream product

• 111-70-6 n-heptan1ol 
• 539-82-2 ethyl n-valerate 
• 5873-43-8 vinyl valerate 
• 111-71-7 heptanal 

Relevant articles and documents

Aerobic Self-Esterification of Alcohols Assisted by Mesoporous Manganese and Cobalt Oxide

Aerobic self-esterification of primary alcohols catalyzed by mesoporous metal oxides (manganese and cobalt oxides) is reported under base and solvent free conditions. For a range of aliphatic alcohols, up to 90 % conversions to esters was achieved. The catalytic reaction is likewise applicable to neat aldehydes as substrates with yields of up to 86 %. High pressure batch reaction for ethanol to ethyl acetate led to 22 % yield. Isotope labeling studies indicated decarboxylation on the catalyst surface. Mechanistic and kinetic experiments implicate oxygen rebound and α-carbon removal as intermediate steps. Mesoporous cobalt oxide showed about 20 % higher catalytic activity compared to mesoporous manganese oxide.

Products of hydrolysis of C,N-chelated triorganotin(IV) chlorides and use of products as catalysts in transesterification reactions

Triorganotin(IV) chlorides containing one LCN chelating ligand were hydrolyzed with an excess of sodium hydroxide. The composition of the products is strongly dependent on the nature of the organic groups bound to the tin atom. Di(n-butyl)tin, dimethyltin as well as the diphenyl derivative exhibits an equilibrium between hydroxide and stannoxane forms (oxide), whereas alkyltin species react spontaneously and reversibly with carbon dioxide present in the air to form carbonate species. On the other hand, diphenyl derivatives display virtually no reaction with CO2 towards carbonates, while the di-t-butyl-substituted tin derivative is stable under the same experimental condition and remains as a tin hydroxide. In the case of the dimethyltin derivative, a methyl group migration was observed with displacement of one LCN chelating ligand during the reaction on the air. The coordination geometry of the tin central atom(s) of all studied compounds can be described as trigonal bipyramidal with a dative bonded dimethylamino group occupying one coordination site. The catalytic activity of these compounds in transesterification reactions is generally lower compared to the systems reported in the literature, with the exception of the transesterification of ethyl acetate by cyclohexanol which displays a remarkable activity.