50746-10-6

Basic information

• Product Name: 3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE
• Synonyms: FEMA 3855;3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE;3-MERCAPTO-3-METHYLBUTYL FORMATE;3-Mercapto-3-methylbutyl formate (ester);3-Methyl-3-sulfanylbutyl formate;Formic acid 3-mercapto-3-methyl-butyl ester;3-Mercapto-3-methyl-1-butylformate;3-Sulfanyl-3-methyl-1-butyl-1-formate
• CAS NO: 50746-10-6
• Molecular Formula: C₆H₁₂O₂S
• Molecular Weight: 148.22
• Mol File: 50746-10-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 196℃
• Flash Point: 76℃
• Appearance: /
• Density: 1.019
• Vapor Pressure: 0.419mmHg at 25°C
• Refractive Index: n20/D1.460-1.462
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Sparingly), Methanol (Slightly)
• PKA: 10.88±0.10(Predicted)
• CAS DataBase Reference: 3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE(50746-10-6)
• EPA Substance Registry System: 3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE(50746-10-6)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 50746-10-6(Hazardous Substances Data)

Usage

Description

3-Mercapto-3-methyl-1-butyl-1-formate is an organic compound known for its distinctive odor and is one of the major odor-active thiols found in pan-roasted white sesame seeds. It is also reported to be present in coffee, contributing to the complex aroma profile of these beverages.

Uses

Used in Flavor Industry:
3-Mercapto-3-methyl-1-butyl-1-formate is used as a flavor compound for its characteristic odor, enhancing the sensory experience of food products, particularly those involving sesame seeds or coffee.
Used in Aroma Chemistry:
In the field of aroma chemistry, 3-Mercapto-3-methyl-1-butyl-1-formate is used as a research compound to study the effects of thiols on the aroma and flavor of various products, aiding in the development of new flavor profiles and understanding the chemical composition of complex scents.
Used in Coffee Industry:
3-Mercapto-3-methyl-1-butyl-1-formate is used as a key component in the coffee industry to understand and recreate the unique aroma of coffee, potentially leading to the development of more refined and authentic coffee flavorings for the consumer market.
Used in Sesame Seed Products:
In the sesame seed industry, 3-Mercapto-3-methyl-1-butyl-1-formate is used as an additive to enhance the natural aroma of sesame seed products, such as roasted sesame seeds, sesame oil, and various sesame-based confections.

InChI:InChI=1/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3

Upstream product

• 34300-94-2 3-Methyl-3-sulfanylbutan-1-ol 

Relevant articles and documents

Mercapto alcohols and mercaptoalkyl esters

New compounds having the formula EQU1 wherein R1 represents a hydrocarbon moiety having from 1 to 7 carbontoms, R2 is hydrogen, methyl or ethyl, and R3 is hydrogen, formyl or acetyl. The compounds are useful in the preparation, modification and intensification of a great variety of flavor and perfume compositions.