4-Mercapto-2-butanone
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4-Mercapto-2-butanone
structure -
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CAS No:
34619-12-0
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Formula:
C4H8OS
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Chemical Name:
4-Mercapto-2-butanone
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Synonyms:
2-Butanone,4-mercapto-;4-Mercapto-2-butanone;2-keto-4-Butanethiol
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CAS No:
Characteristics
18.1
0.89530
0.985 g/cm3
59-60 °C (15 mm Hg)
137-139 °C @ Press: 15 Torr
54.8ºC
1.451
7.669e+004 mg/L @ 25 °C (est)
Safety Information
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H302 (98.21%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1398 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Mercapto-2-butanone Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:104.17
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:104.02958605
Monoisotopic Mass:104.02958605
Topological Polar Surface Area:18.1
Heavy Atom Count:6
Complexity:51.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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