4-(Methylthio)-1-butanol
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4-(Methylthio)-1-butanol
structure -
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CAS No:
20582-85-8
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Formula:
C5H12OS
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Chemical Name:
4-(Methylthio)-1-butanol
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Synonyms:
1-Butanol,4-(methylthio)-;4-(Methylthio)-1-butanol
- Categories:
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CAS No:
Description
sulfury,potato, or green vegetable odour
4-(Methylthio)-1-butanol is an aliphatic sulfide.
4-(Methylthio)-1-butanol Basic Attributes
120.21
120.21
606-585-4|927-354-7
YL87URY6PC
DTXSID60174594
2930909090
Characteristics
45.53000
1.12190
0.98g/cm3
81-85 °C @ Press: 3 Torr
215 °F
n20/D 1.487(lit.)
1.617e+004 mg/L @ 25 °C (est)|soluble in water and fat
Safety Information
UN 3334
3
|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 114 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(Methylthio)-1-butanol Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:120.22
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:120.06088618
Monoisotopic Mass:120.06088618
Topological Polar Surface Area:45.5
Heavy Atom Count:7
Complexity:31.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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