3306-36-3

Basic information

• Product Name: S-BUTYL BENZOATE
• Synonyms: 1-methylpropyl benzoate;Sec-butyl benzoate;S-BUTYL BENZOATE;NISTC3306363;Benzoic acid sec-butyl ester;butan-2-yl benzoate
• CAS NO: 3306-36-3
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• EINECS: 221-986-0
• Mol File: 3306-36-3.mol
• Article Data: 50

Chemical Properties

• Boiling Point: 241.1°Cat760mmHg
• Flash Point: 101.4°C
• Appearance: /
• Density: 1.005g/cm³
• Vapor Pressure: 0.0366mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: S-BUTYL BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: S-BUTYL BENZOATE(3306-36-3)
• EPA Substance Registry System: S-BUTYL BENZOATE(3306-36-3)

Safety Data

• Hazardous Substances Data: 3306-36-3(Hazardous Substances Data)

Usage

General Description

S-Butyl benzoate is a chemical compound with the molecular formula C11H14O2. It is a colorless to pale yellow liquid with a distinctive sweet and floral odor. S-Butyl benzoate is commonly used as a fragrance ingredient in perfumes, soaps, and other cosmetic products. It is also utilized as a solvent in chemical processes and as a flavoring agent in food products. Additionally, it is known for its potential insecticidal and antimicrobial properties, making it useful in the formulation of insect repellents and antimicrobial products. S-Butyl benzoate is considered relatively safe for use in consumer products and is regulated by various health and safety organizations.

InChI:InChI=1/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

Upstream product

• 98-88-4 benzoyl chloride 
• 78-92-2 iso-butanol 
• 72258-23-2 (2R,4S)-4-Methyl-2-phenyl-1,3-dioxan 
• 100-52-7 benzaldehyde 
• 78-86-4 s-butyl chloride 
• 94-36-0 dibenzoyl peroxide 
• 92787-70-7 O-benzoyl-N-iso-butylhydroxylamine 
• 65-85-0 benzoic acid 
• 56544-13-9 1-methyl-1-propenyl benzoate 
• 56544-12-8 but-2-en-2-yl benzoate 
• 27350-45-4 (S)-sec-butyl diphenylphosphinite 
• 56544-11-7 1-ethylethenyl benzoate 
• 4909-81-3 s-butyl benzoate 
• 582-25-2 Potassium benzoate 

Downstream Products

• 4221-99-2 (S)-2-butanol 
• 14898-79-4 (2R)-butan-2-ol 
• 4909-81-3 (1S)-methylpropyl benzoate 
• 3306-36-3 (1R)-1-methylpropyl benzoate 
• 1485-70-7 N-benzylbenzamide 

Relevant articles and documents

Enantioselective Rh-catalyzed hydrogenation of vinyl carboxylates with monodentate phosphite ligands

(Matrix presented) Alkyl-substituted vinylcarboxylates, which normally show poor enantioselectivity in Rh-catalyzed hydrogenation with traditional chiral diphosphines, undergo highly enantioselective reactions with BINOL- and carbohydrate-based monophosph

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

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.

Oxidative esterification of alcohols by a single-side organically decorated Anderson-type chrome-based catalyst

The direct esterification of alcohols with non-noble metal-based catalytic systems faces great challenges. Here, we report a new chrome-based catalyst stabilized by a single pentaerythritol decorated Anderson-type polyoxometalate, [N(C4H9)4]3[CrMo6O18(OH)3C{(OCH2)3CH2OH}], which can realize the efficient transformation from alcohols to esters by H2O2oxidation in good yields and high selectivity without extra organic ligands. A variety of alcohols with different functionalities including some natural products and pharmaceutical intermediates are tolerated in this system. The chrome-based catalyst can be recycled several times and still keep the original configuration and catalytic activity. We also propose a reasonable catalytic mechanism and prove the potential for industrial applications.