5870-93-9

Basic information

• Product Name: HEPTYL BUTYRATE
• Synonyms: butanoicacid,heptylester;Butyric acid, heptyl ester;butyricacid,heptylester;Heptyl butanoate;heptylbutanoate;n-Heptyl butanoate;n-Heptyl n-butyrate;N-HEPTYL BUTYRATE
• CAS NO: 5870-93-9
• Molecular Formula: C₁₁H₂₂O₂
• Molecular Weight: 186.29
• EINECS: 227-526-5
• Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 5870-93-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: −58 °C(lit.)
• Boiling Point: 225-226 °C(lit.)
• Flash Point: 195 °F
• Appearance: Colourless with characteristic green-tea odour Liquid.
• Density: 0.864 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.09mmHg at 25°C
• Refractive Index: n20/D 1.4215(lit.)
• CAS DataBase Reference: HEPTYL BUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: HEPTYL BUTYRATE(5870-93-9)
• EPA Substance Registry System: HEPTYL BUTYRATE(5870-93-9)

Safety Data

• WGK Germany: 2
• RTECS: EK7876000
• Hazardous Substances Data: 5870-93-9(Hazardous Substances Data)

Usage

Description

Heptyl butyrate, also known as heptyl cinnamate, is an organic compound derived from the esterification of n-heptanol with cinnamic acid. It is characterized by its fruity, chamomile-like odor and a sweet, green, tea-like taste reminiscent of plum. HEPTYL BUTYRATE is found in various fruits and food items, such as fresh apple, grilled beef, fresh plum, plumcot, and babaco fruit (Carica pentagona Heilborn).

Uses

Used in Fragrance Industry:
Heptyl butyrate is used as a fragrance ingredient for its green, leafy odor with a secondary hyacinth note. It adds a fresh and pleasant scent to various perfumes, colognes, and other fragrance products.
Used in Flavor Industry:
Heptyl butyrate is used as a flavoring agent for its sweet, green, tea-like taste suggestive of plum. It is commonly utilized in the food and beverage industry to enhance the flavor of products, particularly those with fruity or floral notes.
Used in Cosmetics Industry:
In the cosmetics industry, heptyl butyrate is used as an additive to provide a pleasant and long-lasting scent to various cosmetic products, such as lotions, creams, and body washes. Its unique aroma can contribute to the overall sensory experience of these products, making them more appealing to consumers.
Used in Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, heptyl butyrate's pleasant odor and taste could potentially be utilized in the pharmaceutical industry for the development of medications with improved palatability or as a component in the formulation of certain drugs.

Preparation

From n-heptyl alcohol and butyric acid in the presence of HCl.

InChI:InChI=1/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3

Upstream product

• 111-70-6 n-heptan1ol 
• 109-21-7 butyl butyrate 
• 107-92-6 butyric acid 
• 105-54-4 butanoic acid ethyl ester 
• 110-62-3 pentanal 
• 629-04-9 1-Bromoheptane 

Relevant articles and documents

Dichlorodistannoxane transesterification catalysts, pure Lewis acids

Dialkoxy- or diacyloxy-distannoxanes were transformed into unsymmetrical acyloxyalkoxydistannoxanes during a transesterification reaction where they were used as catalysts, while more active dichlorodistannoxanes were recovered unchanged.

Fractional distribution of graphene oxide and its potential as an efficient and reusable solid catalyst for esterification reactions

Graphene oxide (GrO) prepared by the Hummers method was separated into three different fractions (GrO5000, GrO2000, and GrOres) on the basis of their dispersion stability in the water. Infrared, nuclear magnetic resonance, X-ray photoelectron spectroscopy, and elemental analyses revealed that GrO5000 possesses a high degree of oxygen functionalities including phenolic, carboxylic, and -OSO2H groups, compared with the other fractions. The GrO5000 was found to be a highly efficient and reusable solid catalyst for the esterification of various carboxylic acids with a variety of alcohols to furnish corresponding esters in high to excellent yields. The catalytic activity of the GrO5000 was attributed to the ability of highly polar GrO5000 scaffold to adsorb/attract reactants, where the acid functionalities of GrO5000 facilitated the esterification process efficiently. The chemical and structural features of GrO5000 were discussed to understand the improved catalytic activity compared with GrO2000 and conventional solid acid catalysts.

Rapeseed lipase catalyzed synthesis of butyl butyrate for flavour and nutraceutical applications in organic media

Butyl butyrate, a short chain ester with fine fruity pineapple odour, is a significant flavour compound. Recent investigations show that butyrate esters also have anticancer activity. Factors influencing the synthesis of butyl butyrate by organic phase biocatalysis were investigated. Maximum ester yield of 89% was obtained when 0.25 M butanol and butyric acid were reacted at 25 °C for 48 h in the presence of 250 mg rape seed lipase acetone powder in hexane. Addition of water did not affect synthesis, while a water activity of 0.45 was found optimum. Of 15 different alcohols evaluated, isoamyl and (Z)-3- hexen-1-ol were esterified most effectively with molar conversion yields of 92.2 and 80.2%. Short chain primary alcohols such as methanol and medium-long chain alcohols, such as heptanol and octanol were esterified more slowly. The results show that rape seed lipase is versatile catalyst for ester synthesis with temperature stability range 5-50 °C.