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S-Ethyl thioacetate

S-Ethyl thioacetate structure

S-Ethyl thioacetate 

structure
  • CAS No:

    625-60-5

  • Formula:

    C4H8OS

  • Chemical Name:

    S-Ethyl thioacetate

  • Synonyms:

    Ethanethioic acid,S-ethyl ester;Acetic acid,thio-,S-ethyl ester;Ethanethiol,acetate;S-Ethyl thiolacetate;Ethyl thiolacetate;S-Ethyl thioacetate;Ethyl ethanethioate;1-(Ethylsulfanyl)ethan-1-one

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

Colorless liquid Ethyl thioacetate has an alliaceous, coffee odor


Liquid|clear liquid


S-Ethyl thioacetate is a thiocarboxylic ester.

S-Ethyl thioacetate Basic Attributes

104.17

104.17

1737643

210-904-9

6E715F929W

DTXSID5060807

29309090

Characteristics

41.32000

1.26

Liquid

1.036 g/cm3 @ Temp: 16 °C

116.4 °C

65 °F

1.471

Insoluble in water

Safety Information

II

3

UN 1993 3/PG 2

3

11-22-37/38-41-20/21/22

26-39-36/37-23-16

F,Xn

P210-P261-P280-P305 + P351 + P338

H225-H302-H315-H318-H335

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 163 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S-Ethyl thioacetate Use and Manufacturing

Methods of Manufacturing

It is synthesized from acetyl chloride and ethyl mercaptan.

Uses

Spices for food.

Ethanethioic acid, S-ethyl ester: ACTIVE

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

Flavoring Agents

Computed Properties

Molecular Weight:104.17
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:104.02958605
Monoisotopic Mass:104.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:6
Complexity:51.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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