3-Mercapto-3-methylbutyl formate
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3-Mercapto-3-methylbutyl formate
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CAS No:
50746-10-6
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Formula:
C6H12O2S
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Chemical Name:
3-Mercapto-3-methylbutyl formate
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Synonyms:
1-Butanol,3-mercapto-3-methyl-,1-formate;3-Mercapto-3-methylbutyl formate;3-Sulfanyl-3-methylbutyl formate;3-Methyl-3-sulfanylbutyl formate
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CAS No:
3-Mercapto-3-methylbutyl formate Basic Attributes
148.22300
148.22
52GQ058752
DTXSID60198790
2930909090
Characteristics
65.10000
1.89380
1.019g/cm3
195.5ºC
77.5ºC
1.457
3177 mg/L @ 25 °C (est)|soluble in water at 1000 mg/L, white petrolatum 250 g/kg at 20oC, acetone and 95% ethanol at 20oC
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 89 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Mercapto-3-methylbutyl formate Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:148.23
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:148.05580079
Monoisotopic Mass:148.05580079
Topological Polar Surface Area:27.3
Heavy Atom Count:9
Complexity:91.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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