S-Methyl 4-methylpentanethioate
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S-Methyl 4-methylpentanethioate
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CAS No:
61122-71-2
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Formula:
C7H14OS
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Chemical Name:
S-Methyl 4-methylpentanethioate
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Synonyms:
Pentanethioic acid,4-methyl-,S-methyl ester;S-Methyl 4-methylpentanethioate
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CAS No:
S-Methyl 4-methylpentanethioate Basic Attributes
146.25000
146.25
612-089-9
011EVD3QYF
DTXSID20210008
Characteristics
42.37000
2.31220
0.94g/cm3
180.8ºC at 760 mmHg
56.1ºC
1.458
1232 mg/L @ 25 °C (est)|soluble in oil and alcohol
Safety Information
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
S-Methyl 4-methylpentanethioate Use and Manufacturing
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:146.25
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:146.07653624
Monoisotopic Mass:146.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:9
Complexity:88.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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