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1-(Methylthio)-2-butanone is an organic compound with a distinct mushroom-like odor and a subtle garlic undertone. It can be synthesized from chloro-1-butan-2-one and is known for its unique aromatic properties.

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  • 13678-58-5 Structure
  • Basic information

    1. Product Name: 1-(Methylthio)-2-butanone
    2. Synonyms: 1-(METHYLTHIO)-2-BUTANONE;methylthiomethyl ethyl ketone;FEMA 3207;1-(methylthio)butan-2-one;2-Butanone, 1-(methylthio)-;Methylthio Butanone;1-methylsulfanylbutan-2-one
    3. CAS NO:13678-58-5
    4. Molecular Formula: C5H10OS
    5. Molecular Weight: 118.2
    6. EINECS: 237-169-7
    7. Product Categories: sulfide Flavor
    8. Mol File: 13678-58-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 52-53°C (8 mm Hg)
    3. Flash Point: 50.468 °C
    4. Appearance: /
    5. Density: 0.968 g/cm3
    6. Vapor Pressure: 2.32mmHg at 25°C
    7. Refractive Index: 1.456
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(Methylthio)-2-butanone(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(Methylthio)-2-butanone(13678-58-5)
    12. EPA Substance Registry System: 1-(Methylthio)-2-butanone(13678-58-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13678-58-5(Hazardous Substances Data)

13678-58-5 Usage

Uses

Used in Flavor and Fragrance Industry:
1-(Methylthio)-2-butanone is used as a flavoring agent for its mushroom-like aroma with a characteristic garlic undertone, adding depth and complexity to various food products.
Used in Perfumery:
In the perfumery industry, 1-(Methylthio)-2-butanone is used as a fragrance ingredient to provide a unique and pleasant scent to personal care products, enhancing their appeal and marketability.
Used in Chemical Synthesis:
1-(Methylthio)-2-butanone serves as a key intermediate in the synthesis of various organic compounds, contributing to the development of new materials and chemicals with diverse applications.

Preparation

From chloro-1-butan-2-one

Synthesis Reference(s)

Synthetic Communications, 19, p. 443, 1989 DOI: 10.1080/00397918908050685

Check Digit Verification of cas no

The CAS Registry Mumber 13678-58-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,6,7 and 8 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 13678-58:
(7*1)+(6*3)+(5*6)+(4*7)+(3*8)+(2*5)+(1*8)=125
125 % 10 = 5
So 13678-58-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3

13678-58-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methylsulfanylbutan-2-one

1.2 Other means of identification

Product number -
Other names UNII-KPY19W300G

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:13678-58-5 SDS

13678-58-5Downstream Products

13678-58-5Relevant articles and documents

A CONVENIENT GENERAL ACCESS TO α-SULFENYLATED ACETOPHENONES AND ALKANONES

Ishibashi, Hiroyuki,Takamuro, Iwao,Mizukami, Yo-ichi,Irie, Maki,Ikeda, Masazumi

, p. 443 - 452 (2007/10/02)

Friedel-Crafts acylation of arenes with methylthio- (1) or phenylthio-acetyl chloride (2) provides ready access to α-methylthio- or α-phenylthio-substituted acetophenones.The acyl chlorides 1 and 2 reacted also with organoaluminium reagents to give α-sulfenylated alkanones.

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