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S-Methyl butanethioate

S-Methyl butanethioate structure

CAS No:
2432-51-1
Formula:
C5H10OS
Chemical Name:
S-Methyl butanethioate
Synonyms:
Butanethioic acid,S-methyl ester;Butyric acid,thio-,S-methyl ester;Methanethiol butyrate;S-Methyl butanethioate;1-(Methylsulfanyl)butan-1-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Methyl thiobutyrate has a putrid, rancid, sour, pungent, cabbage odor. CLEAR YELLOW LIQUID

Liquid|colourless to pale yellow liquid with putrid, rancid, sour, pungent cabbage odour (powerful sweet cheesy odour in dilute solution)

S-Methyl butanethioate is a thiocarboxylic ester.

S-Methyl butanethioate Basic Attributes

Molecular Weight：

118.2

Exact Mass：

118.20

BRN：

1848987

EC Number：

219-407-1

UNII：

2P1E432MYZ

DSSTox ID：

DTXSID5047669

HScode：

2930909090

Characteristics

PSA：

42.37000

XLogP3：

1.79

Appearance：

Liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

142-143 °C757 mm Hg(lit.)

Flash Point：

94 °F

Refractive Index：

1.457

Water Solubility：

insoluble in water; miscible in diethyl ether

Vapor Pressure：

5.87mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1650 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

methyl thiolbutyrate

S-Methyl butanethioate Use and Manufacturing

Manufacturing Info：

Butanethioic acid, S-methyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:118.20
XLogP3:1.5
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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Guide of S-Methyl butanethioate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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S-Methyl butanethioate

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