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S-Propyl thioacetate

S-Propyl thioacetate structure

S-Propyl thioacetate 

structure
  • CAS No:

    2307-10-0

  • Formula:

    C5H10OS

  • Chemical Name:

    S-Propyl thioacetate

  • Synonyms:

    Ethanethioic acid,S-propyl ester;Acetic acid,thio-,S-propyl ester;S-Propyl thioacetate;Propyl thiolacetate;1-(Propylsulfanyl)ethan-1-one

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

colourless to pale yellow liquid


S-Propyl thioacetate is a thiocarboxylic ester.

S-Propyl thioacetate Basic Attributes

118.2

118.20

1740765

218-984-7

Y7284NZ6EP

DTXSID30177638

2930909090

Characteristics

42.4

1.79

colourless to pale yellow liquid

0.9688 g/cm3 @ Temp: 25 °C

135 °C @ Press: 750 Torr

137-139°C

1.457

1 ml in 1 ml 95% alcohol (in ethanol)

5.87mmHg at 25°C

Safety Information

III

3

1993

3

10-36/37/38-41

16-26-36/37/39-39-60-37

Xi

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

H226

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 134 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S-Propyl thioacetate Use and Manufacturing

Uses

Used as food flavor

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

Flavoring Agents

Computed Properties

Molecular Weight:118.20
XLogP3:1.6
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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