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

Occurrence

Reported found in coffee.

Uses

3-Mercapto-3-methylbutyl formate is one of the major odor-active thiol in pan-roasted white sesame seeds.

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.