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Home > Encyclopedia > 4-(Methylthio)-2-butanone

4-(Methylthio)-2-butanone

4-(Methylthio)-2-butanone structure

4-(Methylthio)-2-butanone 

structure
  • CAS No:

    34047-39-7

  • Formula:

    C5H10OS

  • Chemical Name:

    4-(Methylthio)-2-butanone

  • Synonyms:

    2-Butanone,4-(methylthio)-;4-(Methylthio)-2-butanone;4-Methylsulfanylbutan-2-one

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

4-Methylthio-2-butanone has a flavor similar to arrowhead: sweet, sulfurous and fruity Colorless liquid


sweet, sulfurous, fruity flavor like arrowhead


4-(Methylthio)-2-butanone is a ketone.

4-(Methylthio)-2-butanone Basic Attributes

118.2

118.20

251-810-8

5703W1O1AB

DTXSID4067808

2930909090

Characteristics

42.4

0.71

sweet, sulfurous, fruity flavor like arrowhead

1.0±0.1 g/cm3

77-78 °C @ Press: 20 Torr

162 °F

1.457

5.194e+004 mg/L @ 25 °C (est)|insoluble in water

Safety Information

1224

3

10

16-24/25

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

H302

|Warning|H302 (91.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1400 companies from 4 notifications to the ECHA C&L Inventory.

4-(Methylthio)-2-butanone Use and Manufacturing

Uses

Used as food flavor

2-Butanone, 4-(methylthio)-: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:118.20
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:118.04523611
Monoisotopic Mass:118.04523611
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:61.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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