3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
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![3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1672404853164c3c9256c50a49fc74c2.png "3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol")
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
structure -
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CAS No:
54957-02-7
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Formula:
C8H18OS2
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Chemical Name:
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
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Synonyms:
2-Butanol,3-[(2-mercapto-1-methylpropyl)thio]-;3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol;α-Methyl-β-mercaptopropyl α′-methyl-β′-hydroxypropyl sulfide;Thionol 966;3-[(3-Sulfanylbutan-2-yl)sulfanyl]butan-2-ol
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CAS No:
Characteristics
46.5
2.19570
1.035 g/cm3
288ºC at 760 mmHg
128ºC
1.512
828.9 mg/L @ 25 °C (est)|insoluble in water; soluble in alcohol; slightly soluble in fat
Safety Information
|Warning|H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]|P261, P271, P304+P340, P312, P403+P233, P405, and P501|Aggregated GHS information provided by 90 companies from 3 notifications to the ECHA C&L Inventory.
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:194.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:194.07990754
Monoisotopic Mass:194.07990754
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:108
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
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