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Ethyl 4-(methylthio)butanoate

Ethyl 4-(methylthio)butanoate structure

CAS No:
22014-48-8
Formula:
C7H14O2S
Chemical Name:
Ethyl 4-(methylthio)butanoate
Synonyms:
Butanoic acid,4-(methylthio)-,ethyl ester;Butyric acid,4-(methylthio)-,ethyl ester;Ethyl 4-(methylthio)butanoate;Ethyl 4-(methylthio)butyrate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Ethyl 4-(methylthio)-butyrate has a pungent sulfur odor.

colourless liquid with pungent sulfury odour

Ethyl 4-(methylthio)butanoate Basic Attributes

Molecular Weight：

162.24986

Exact Mass：

162.25

EC Number：

244-720-5

UNII：

W0F51T4V09

DSSTox ID：

DTXSID70176463

HScode：

2930909090

Characteristics

PSA：

51.6

XLogP3：

1.69270

Density：

1.004g/cm3

Boiling Point：

101 °C @ Press: 18 Torr

Flash Point：

90.7ºC

Refractive Index：

1.46

Water Solubility：

1494 mg/L @ 25 °C (est)|soluble in water; miscible in fats

Vapor Pressure：

0.108mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 4-(methylthio)butanoate Use and Manufacturing

Uses

Spices for food.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:162.25
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:162.07145086
Monoisotopic Mass:162.07145086
Topological Polar Surface Area:51.6
Heavy Atom Count:10
Complexity:93.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: 2-bromo-2-methylbutane; h3bo3; boric acid; no2 chemical name; dichlorine heptoxide; glibenclamide

Guide of Ethyl 4-(methylthio)butanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Ethyl 4-(methylthio)butanoate

SDS

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