3-Mercapto-2-methylpentan-1-ol
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3-Mercapto-2-methylpentan-1-ol
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CAS No:
227456-27-1
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Formula:
C6H14OS
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Chemical Name:
3-Mercapto-2-methylpentan-1-ol
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Synonyms:
1-Pentanol,3-mercapto-2-methyl-;3-Mercapto-2-methyl-1-pentanol;3-Mercapto-2-methylpentan-1-ol;3-Sulfanyl-2-methylpentan-1-ol;2-Methyl-3-sulfanyl-pentan-1-ol;3-Mercapto-2-methyl pentanol
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CAS No:
Description
3-Mercapto-2-methylpentan-1-ol (racemic) is a highly odorous mercaptan with an onion or leek-like aroma. Flavor quality was reported to strongly depend on concentration.
Clear liquid; onion like aroma
Characteristics
21.2
1.46
1.0±0.1 g/cm3
205.0±23.0 °C at 760 mmHg
77.8±22.6 °C
1.472
slightly|Slightly soluble in water; soluble in organic solvents|soluble (in ethanol)
0.0612mmHg at 25°C
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 113 companies from 1 notifications to the ECHA C&L Inventory.
3-Mercapto-2-methylpentan-1-ol Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:134.24
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:134.07653624
Monoisotopic Mass:134.07653624
Topological Polar Surface Area:21.2
Heavy Atom Count:8
Complexity:56.5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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