3-(Methylthio)hexyl acetate
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3-(Methylthio)hexyl acetate
structure -
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CAS No:
51755-85-2
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Formula:
C9H18O2S
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Chemical Name:
3-(Methylthio)hexyl acetate
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Synonyms:
1-Hexanol,3-(methylthio)-,1-acetate;1-Hexanol,3-(methylthio)-,acetate;3-(Methylthio)hexyl acetate
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CAS No:
Safety Information
UN 3334
3
38
26-36
Xi
P264, P280, P302+P352, P321, P332+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 128 companies from 3 notifications to the ECHA C&L Inventory.
3-(Methylthio)hexyl acetate Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:190.31
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:190.10275099
Monoisotopic Mass:190.10275099
Topological Polar Surface Area:51.6
Heavy Atom Count:12
Complexity:126
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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