19872-52-7
Product Name:
4-Mercapto-4-methylpentan-2-one
Formula:
C6H12OS
Synonyms:
4-Methyl-4-mercaptopentan-2-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless to pale yellow liquid; roasted meaty aroma |
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Solubility | Soluble in water; Insoluble in fat |
Density | 1.032-1.037 |
Refractive Index | 1.431-1.437 |
Kovats Retention Index | 915 915 915 915 915 915 915 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 132.23 g/mol |
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XLogP3 | 0.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 132.06088618 g/mol |
Monoisotopic Mass | 132.06088618 g/mol |
Topological Polar Surface Area | 18.1 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 96.7 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-mercapto-4-methylpentan-2-one is an alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an alkanethiol and a methyl ketone.