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3-(Methylthio)butanal

3-(Methylthio)butanal structure

CAS No:
16630-52-7
Formula:
C5H10OS
Chemical Name:
3-(Methylthio)butanal
Synonyms:
Butanal,3-(methylthio)-;Butyraldehyde,3-(methylthio)-;3-(Methylthio)butanal;β-(Methylthio)butyraldehyde;3-(Methylthio)butyraldehyde;3-Methylsulfanylbutyraldehyde;3-Methylsulfanylbutanal
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

3-Methylthiobutyraldehyde has a green, musky, buchu odor and a flavor reminiscent of potato chip3-(Methylthio)butanal has the flavor of potato chips. It is prepared by addition of methanethiol to the corresponding unsaturated aldehyde (previously cooled to -20°C), using piperidine or copper acetate as catalyst; by a patented oxo process.

colourless to pale yellow liquid with green, musky, buchu odour

3-(Methylthio)butanal is an aldehyde.

3-(Methylthio)butanal Basic Attributes

Molecular Weight：

118.2

Exact Mass：

118.20

EC Number：

240-678-7

HScode：

29309090

Characteristics

PSA：

42.4

XLogP3：

1.05

Appearance：

colourless to pale yellow liquid with green, musky, buchu odour

Density：

0.997 g/cm³ @ Temp: 20 °C

Boiling Point：

40 °C @ Press: 2.5 Torr

Flash Point：

144 °F

Refractive Index：

n 20/D 1.476(lit.)

Water Solubility：

insoluble in water; soluble in alcohol

Vapor Pressure：

60 mm Hg ( 20 °C)

Vapor Density：

4.1 (vs air)

Safety Information

Transport codes：

1989

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P210-P261-P280-P304 + P340 + P312-P305 + P351 + P338 + P310-P370 + P378

Hazard Statements：

H226-H318-H331-H341-H400

GHS Classification：

|Danger|H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, and P501|Aggregated GHS information provided by 1487 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Methylthio)butanal Use and Manufacturing

Methods of Manufacturing

Using piperidine or copper acetate as catalyst, it is made by adding methyl mercaptan to crotonaldehyde pre-cooled to -20°C.

Uses

Used in the production of seasonings

Manufacturing Info：

Butanal, 3-(methylthio)-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:118.20
XLogP3:0.7
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:54
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Methylthio)butanal

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-(Methylthio)butanal

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