2345-26-8

Basic information

• Product Name: GERANYL ISOBUTYRATE
• Synonyms: FEMA 2513;GERANYL ISOBUTYRATE;3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOBUTYRATE;2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-;2-methyl-,3,7-dimethyl-2,6-octadienylester,(e)-propanoicaci;2-methyl-,3,7-dimethyl-2,6-octadienylester,(E)-Propanoicacid;3,7-dimethyl-,isobutyrate,trans-6-octadien-1-ol;3,7-Dimethyl-2,6-octadienyl isobutyrate
• CAS NO: 2345-26-8
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34
• EINECS: 219-062-7
• Mol File: 2345-26-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 305.75°C (rough estimate)
• Flash Point: 96.15 °C
• Appearance: /
• Density: 0.8997
• Vapor Pressure: 1.07Pa at 25℃
• Refractive Index: 1.4576 (estimate)
• Water Solubility: 824μg/L at 25℃
• CAS DataBase Reference: GERANYL ISOBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: GERANYL ISOBUTYRATE(2345-26-8)
• EPA Substance Registry System: GERANYL ISOBUTYRATE(2345-26-8)

Safety Data

• Hazardous Substances Data: 2345-26-8(Hazardous Substances Data)

Usage

Description

Geranyl isobutyrate has a light rose odor and a sweet, apricot-like taste. It is synthesized by heating geraniol and acetic isobutyric aldehyde in the presence of sodium acetate in toluene and then distilling the formed acetic acid as an azeotrope.

Chemical Properties

Different sources of media describe the Chemical Properties of 2345-26-8 differently. You can refer to the following data:
1. Geranyl isobutyrate has a light rose odor and sweet, apricot-like taste.
2. Colorless, oily liquid
3. Geranyl Isobutyrate is a liquid with a fruity rose odor. It is used in floral perfume compositions and in fruit flavors.

Occurrence

Reported found in the essential oils of Japanese hops and valerian, and in guava, carrot, thymus, hop oil, beer, sake, hybrid passion fruit juice and Spanish sage

Preparation

By heating geraniol and acetic isobutyric aldehyde in the presence of sodium acetate in toluene and then distilling the formed acetic acid as an azeotrope.

Aroma threshold values

Detection: 13 ppb.

Taste threshold values

Taste characteristics at 30 ppm: sweet, foral and citrus with a fruity nuance.

InChI:InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+

Upstream product

• 106-24-1 Geraniol 
• 97-62-1 Ethyl isobutyrate 
• 79-30-1 isobutyryl chloride 
• 79-31-2 isobutyric Acid 
• 7137-29-3 isobutyric acetic anhydride 

Relevant articles and documents

Efficient Enzymatic Preparation of Flavor Esters in Water

A straightforward biocatalytic method for the enzymatic preparation of different flavor esters starting from primary alcohols (e.g., isoamyl, n-hexyl, geranyl, cinnamyl, 2-phenethyl, and benzyl alcohols) and naturally available ethyl esters (e.g., formate, acetate, propionate, and butyrate) was developed. The biotransformations are catalyzed by an acyltransferase from Mycobacterium smegmatis (MsAcT) and proceeded with excellent yields (80-97%) and short reaction times (30-120 min), even when high substrate concentrations (up to 0.5 M) were used. This enzymatic strategy represents an efficient alternative to the application of lipases in organic solvents and a significant improvement compared with already known methods in terms of reduced use of organic solvents, paving the way to sustainable and efficient preparation of natural flavoring agents.

Synthesis of Fatty Acid Ester by Corynebacterium sp. S-401

Resting cells and acetone-dried cells of Corynebacterium sp.S-401 catalyzed the fatty acid ester synthesis of various alcohols and fatty acids.These reactions were carried out in phosphate buffer and/or organic solvents.In some cases synthetic reactions of esters in nonpolar solvents, such as n-hexane and benzene, gave better results compared with those obtained in phosphate buffer.