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105-01-1

105-01-1

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105-01-1 Usage

Description

Isobutyl 2-furanpropionate has a fruity, winey, brandy-like odor and a pungent taste above 50 ppm. It has a sweet, dry, brandy flavor at low levels. May be synthesized by esterification of 2 -furanpropionic acid with isobutanol.

Chemical Properties

Isobutyl-2-furanpropionate has a fruity, winey, brandy-like aroma

Preparation

By esterification of 2-furanpropionic acid with isobutanol

Aroma threshold values

Aroma characteristics at 1.0%: sweet, fruity, ripe pineapple, cherry, slightly cinnamon spicy, brown caramel and slightly balsamic

Taste threshold values

Taste characteristics at 10 ppm: winey, fruity pineapple, cherry and honey with slight spicy cinnamic and berry nuances.

Check Digit Verification of cas no

The CAS Registry Mumber 105-01-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 5 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 105-01:
(5*1)+(4*0)+(3*5)+(2*0)+(1*1)=21
21 % 10 = 1
So 105-01-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3

105-01-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Isobutyl furfurylacetate

1.2 Other means of identification

Product number -
Other names isobutyl-2-furanpropionate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:105-01-1 SDS

105-01-1Synthetic route

2-Methyl-benzoic acid 2-(2-isobutoxycarbonyl-ethyl)-2-methyl-[1,3]dioxolan-4-yl ester
99968-26-0

2-Methyl-benzoic acid 2-(2-isobutoxycarbonyl-ethyl)-2-methyl-[1,3]dioxolan-4-yl ester

A

3-(2-Furyl)propansaeure-isobutylester
105-01-1

3-(2-Furyl)propansaeure-isobutylester

B

(2-Methyl-3-furyl)essigsaeure-isobutylester
99968-32-8

(2-Methyl-3-furyl)essigsaeure-isobutylester

Conditions
ConditionsYield
at 230 - 250℃; under 10 - 15 Torr;A 37%
B 31%
3-(2-Furyl)propansaeure-isobutylester
105-01-1

3-(2-Furyl)propansaeure-isobutylester

ethyl iodide
75-03-6

ethyl iodide

3-Ethyl-1-(2-furyl)-3-pentanol
91965-48-9

3-Ethyl-1-(2-furyl)-3-pentanol

Conditions
ConditionsYield
With magnesium 1.) diethyl ether; 2.) 24 h, reflux; Yield given. Multistep reaction;
3-(2-Furyl)propansaeure-isobutylester
105-01-1

3-(2-Furyl)propansaeure-isobutylester

methyl iodide
74-88-4

methyl iodide

4-(2-Furyl)-2-methyl-2-butanol
90611-72-6

4-(2-Furyl)-2-methyl-2-butanol

Conditions
ConditionsYield
With magnesium 1.) diethyl ether; 2.) 24 h, reflux; Yield given. Multistep reaction;

105-01-1Downstream Products

105-01-1Relevant articles and documents

Reaction of Carboxonium Ions of Cyclic Acetals, IX. - Synthesis of Rosefuran and Structurally Related Terpene-like Esters, Alcohols, and Olefins

Meier, Lothar,Scharf, Hans-Dieter

, p. 731 - 740 (2007/10/02)

Thermolysis of the 4-(o-toluoyloxy)-1,3-dioxolanes 4 leads to the furans 6/7 which, via Grignard reaction, can be converted into the alcohols 8/9.Subsequent dehydratization affords the olefins 10/11, e.g. rosefuran (10a).

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