3-(Methylthio)hexanal
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3-(Methylthio)hexanal
structure -
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CAS No:
38433-74-8
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Formula:
C7H14OS
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Chemical Name:
3-(Methylthio)hexanal
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Synonyms:
Hexanal,3-(methylthio)-;3-(Methylthio)hexanal;149310-62-3
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CAS No:
Characteristics
42.4
2.12
0.9±0.1 g/cm3
206.3±23.0 °C at 760 mmHg
76.9±8.3 °C
1.460
2235 mg/L @ 25 °C (est)|insoluble in water; soluble in ethanol, triacetin and heptane|1 ml in 2 ml 70% alcohol (in ethanol)
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 89 companies from 3 notifications to the ECHA C&L Inventory.
3-(Methylthio)hexanal Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:146.25
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:146.07653624
Monoisotopic Mass:146.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:9
Complexity:73.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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