3-Mercapto-2-pentanone
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3-Mercapto-2-pentanone
structure -
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CAS No:
67633-97-0
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Formula:
C5H10OS
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Chemical Name:
3-Mercapto-2-pentanone
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Synonyms:
2-Pentanone,3-mercapto-;3-Mercapto-2-pentanone;3-Sulfanylpentan-2-one
- Categories:
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CAS No:
Characteristics
18.1
1.20
Colorless liquid
1.0±0.1 g/cm3
61-62 °C @ Press: 19 Torr
49.1±22.6 °C
1.452
3.026e+004 mg/L @ 25 °C (est)|insoluble in water; miscible in alcohol
Safety Information
III
3
1224
10-36/37/38-41-22
16-26-36/37/39-39-60-37-33-7
Xn
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H315 (94.94%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1444 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Mercapto-2-pentanone Use and Manufacturing
2-Pentanone, 3-mercapto-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:118.20
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:118.04523611
Monoisotopic Mass:118.04523611
Topological Polar Surface Area:18.1
Heavy Atom Count:7
Complexity:70.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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