Methyl 2-thiofuroate
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Methyl 2-thiofuroate
structure -
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CAS No:
13679-61-3
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Formula:
C6H6O2S
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Chemical Name:
Methyl 2-thiofuroate
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Synonyms:
2-Furancarbothioic acid,S-methyl ester;2-Furoic acid,thio-,S-methyl ester;Methyl 2-thiofuroate;Methylthiol furoate;S-Methyl 2-furancarbothioate;(Furan-2-yl)(methylsulfanyl)methanone
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CAS No:
Description
Methyl 2-thiofuroate has a fried, cooked-onion odor. CLEAR BROWN LIQUIDMethyl 2-thiofuroate has a fried, cooked onion odor.
Clear liquid; fried,cooked onion aroma
Methyl 2-thiofuroate is a furoic acid.
Characteristics
55.5
1.03
Clear brown.
1.236 g/mL at 25 °C(lit.)
83 °C @ Press: 7 Torr
201 °F
n 20/D 1.569(lit.)
6210 mg/L @ 25 °C (est)|Insoluble in water,soluble in organic solvents|Miscible at room temperature (in ethanol)
Store in a cool, dry place. Keep container closed when not in use.
0.669mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22
24/25
Xn
Stable under normal temperatures and pressures.
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1446 companies from 2 notifications to the ECHA C&L Inventory.
Methyl 2-thiofuroate Use and Manufacturing
Used as food flavor
2-Furancarbothioic acid, S-methyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:142.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:142.00885060
Monoisotopic Mass:142.00885060
Topological Polar Surface Area:55.5
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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