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120-50-3

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120-50-3 Usage

Description

Isobutyl benzoate has a floral-leafy odor reminiscent of rose and geranium. May be prepared from benzoic acid and isobutyl alcohol in the presence of HCL catalyst; or by ester exchange between methylbenzoate and isobutyl alcohol in the presence of potassium isobutylate.

Chemical Properties

Different sources of media describe the Chemical Properties of 120-50-3 differently. You can refer to the following data:
1. Isobutyl benzoate has a green, floral-leafy odor reminiscent of rose and geranium.
2. clear colorless liquid

Occurrence

Reported found in cocoa, banana, cherry, papaya, beer and cider.

Uses

Different sources of media describe the Uses of 120-50-3 differently. You can refer to the following data:
1. 2-Methylpropyl Ester Benzoic Acid is an volatile aroma compound found in natural wild cherry wine, litchi ice wine and squid. 2-Methylpropyl Ester Benzoic Acid is also a found as a component in essential oils like Dittrichia graveolens (L.) Greuter, Hypericum rumeliacum Boiss. and Alpinia Officinarum rhizomes.
2. Perfumes and flavors.

Preparation

From benzoic acid and isobutyl alcohol in the presence of HCl catalyst, or by ester exchange between methylbenzoate and isobutyl alcohol in the presence of potassium isobutylate

Definition

ChEBI: A benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.

Taste threshold values

Taste characteristics at 30 ppm: chemical with a sweet, fruity nuance.

Check Digit Verification of cas no

The CAS Registry Mumber 120-50-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 0 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 120-50:
(5*1)+(4*2)+(3*0)+(2*5)+(1*0)=23
23 % 10 = 3
So 120-50-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

120-50-3 Well-known Company Product Price

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  • Alfa Aesar

  • (A10114)  Isobutyl benzoate, 99%   

  • 120-50-3

  • 25g

  • 176.0CNY

  • Detail
  • Alfa Aesar

  • (A10114)  Isobutyl benzoate, 99%   

  • 120-50-3

  • 250g

  • 462.0CNY

  • Detail
  • Alfa Aesar

  • (A10114)  Isobutyl benzoate, 99%   

  • 120-50-3

  • 1000g

  • 1652.0CNY

  • Detail

120-50-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name isobutyl benzoate

1.2 Other means of identification

Product number -
Other names Benzoic Acid Isobutyl Ester

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:120-50-3 SDS

120-50-3Relevant articles and documents

Zirconium based ion exchangers as catalysts in esterification reactions of benzoic acid

Singh, Charanjit,Mittal, Susheel K.,Kaur, Navneet

, p. 3035 - 3038 (2015)

Zirconium based double salts were used as catalysts in esterification reactions of benzoic acid with some primary and secondary alcohols. Ester products were characterized with 1H NMR and FT-IR techniques. Product yields from different set of combinations of benzoic acid and alcohols were monitored using gas chromatography. Double salt based ion exchangers selectively catalyzed esterification reactions based on steric considerations. Electronic factor did not seem to play any role in efficiency of the inorganic ion exchangers as heterogeneous catalysts.

Unusual Reaction of 6-Nitrobenzotriazolyl Carboxylates with Grignard Reagents

Okawara, Tadashi,Ikeda, Norihiro,Yamasaki, Tetsuo,Furukawa, Mitsuru

, p. 42 - 43 (1988)

The reaction of 6-nitrobenzotriazolyl carboxylates with Grignard reagents afforded various carboxylates in fairly good yields.

Electrochemical esterification via oxidative coupling of aldehydes and alcohols

Smeyne, Dylan,Verboom, Katherine,Bryan, Maria,LoBue, James,Shaikh, Abid

supporting information, (2021/03/26)

An electrolytic method for the direct oxidative coupling of aldehydes with alcohols to produce esters is described. Our method involves anodic oxidation in presence of TBAF as supporting electrolyte in an undivided electrochemical cell equipped with graphite electrodes. This method successfully couples a wide range of alcohols to benzaldehydes with yields ranging from 70 to 90%. The protocol is easy to perform at a constant voltage conditions and offers a sustainable alternative over conventional methods.

Metal nitrate-catalyzed one-pot oxidative esterification of benzaldehyde with hydrogen peroxide in alcoholic solutions at room temperature

Da Silva, Márcio José,De Oliveira, Cesar Macedo

, p. 3683 - 3691 (2021/03/03)

The activity of metal nitrate catalysts was investigated in the oxidative esterification reactions of benzaldehyde with hydrogen peroxide. Several types of metal nitrates (alkaline, alkaline earth, and transition metals) were evaluated as catalysts. Among the assessed salts, Fe(NO3)3 was the most efficient catalyst toward the formation of the target product (i.e., benzoic alkyl ester). In methyl alcohol, benzaldehyde was selectively oxidized to benzoic acid and then esterified to methyl benzoate. The efficiency of the catalyst was correlated with its higher Lewis acidity character, which was established through the pH measurements of methanolic solutions of the soluble metal nitrate salts. The influence of main variables of the reaction, such as catalyst load, temperature, and reactant stoichiometry, was investigated. The size of the carbon chain and steric hindrance played an essential role in the reaction selectivity. While methyl and ethyl alcohols selectively provided ester as the main product (ca. 70-75%) and acetal as the subproduct, the other alcohols gave ester, hemiacetal, and benzoic acid, which was formed in the least amount. The use of an inexpensive catalyst, a green oxidant, mild conditions, and short reaction times were the positive aspects of this one-pot process. The high TON (ca. 900) is evidence of the high catalytic activity of Fe(NO3)3. It is noteworthy that this methodology does not rely upon ligands and other additives.

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