Furfurylthiol acetate
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Furfurylthiol acetate
structure -
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CAS No:
13678-68-7
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Formula:
C7H8O2S
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Chemical Name:
Furfurylthiol acetate
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Synonyms:
Ethanethioic acid,S-(2-furanylmethyl) ester;Acetic acid,thio-,S-furfuryl ester;2-Furanmethanethiol,acetate;Furfurylthiol acetate;S-(2-Furanylmethyl)thioacetate
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CAS No:
Description
dark brown liquid Furfuryl thioacetate has a burnt, roasted odor.
Oily liquid; burnt, roasted, alliaceous, garlic, savory, coffee-like
Furfuryl thioacetate is a heteroarene.
Characteristics
55.5
1.3
Dark brown Liquid
1.171 g/mL at 25 °C(lit.)
90-92 °C @ Press: 12 Torr
199 °F
n 20/D 1.526(lit.)
5513 mg/L @ 25 °C (est)|Insoluble in water,soluble in organic solvents, fats|Miscible at room temperature (in ethanol)
0.203mmHg at 25°C
Safety Information
9
UN 3334
3
36/37/38
26-36/37/39-24/25
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (98.09%): 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 1499 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Furfurylthiol acetate Use and Manufacturing
2-Furfurylthiol Acetate is a sulfur-substituted furan derivative used as flavouring agent. e. We will provide a detailed procedure for the preparation of the thiol from the thioacetate with spectral data upon request.
Ethanethioic acid, S-(2-furanylmethyl) ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:156.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:156.02450067
Monoisotopic Mass:156.02450067
Topological Polar Surface Area:55.5
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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