S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate
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S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate
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CAS No:
26486-14-6
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Formula:
C7H10O2S
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Chemical Name:
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate
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Synonyms:
Ethanethioic acid,S-(4,5-dihydro-2-methyl-3-furanyl) ester;Acetic acid,thio-,S-(4,5-dihydro-2-methyl-3-furyl) ester;3-Furanthiol,4,5-dihydro-2-methyl-,acetate;S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate;1-[(2-Methyl-4,5-dihydrofuran-3-yl)sulfanyl]ethan-1-one
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CAS No:
Description
Light yellow liquid; sulfury aroma
S-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate is a member of the class of dihydrofurans that is 4,5-dihydrofuran substituted at positions 2 and 3 by methyl and thioacetoxy groups respectively. It has a role as a flavouring agent. It is a thioacetate ester and a dihydrofuran.
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Basic Attributes
158.21800
158.22
247-731-3
90S7214W4F
Characteristics
51.60000
1.91790
1.132-1.139
162ºC
50.7ºC
1.517-1.521
Soluble in fats; soluble in oils|Miscible at room temperature (in ethanol)
3.13mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 1375 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:158.22
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:158.04015073
Monoisotopic Mass:158.04015073
Topological Polar Surface Area:51.6
Heavy Atom Count:10
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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