4-Mercapto-4-methylpentan-2-one Structure

4-Mercapto-4-methylpentan-2-one

Chemical Properties

Boiling point 174℃
Density  0.961
FEMA  3997 | 4-MERCAPTO-4-METHYL-2-PENTANONE
FLAVIS Number 12.169 | 2-Methyl-4-oxopentane-2-thiol
Flash point 54 °C
refractive index  1.4620
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Soluble), Methanol (Slightly)
form  clear liquid
pka 10.32±0.25(Predicted)
color  Colorless to Light yellow
Odor at 0.10 % in propylene glycol. sulfurous meaty catty black currant
Odor Type sulfurous
Water Solubility  Soluble in water.
Sensitive  Air Sensitive
JECFA Number 1293
Stability Hygroscopic
InChI 1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N
SMILES CC(=O)CC(C)(C)S
LogP 1.23
CAS DataBase Reference 19872-52-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 4-MERCAPTO-4-METHYL-2-PENTANONE
EWG's Food Scores 1
FDA UNII 9524RG5ZQL
NIST Chemistry Reference 2-Pentanone, 4-mercapto-4-methyl-(19872-52-7)
EPA Substance Registry System 2-Pentanone, 4-mercapto-4-methyl- (19872-52-7)
UNSPSC Code 12352105
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H226-H315-H319-H335
Precautionary statements P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Risk Statements  10-36/37/38
Safety Statements  26
WGK Germany  WGK 3
TSCA  TSCA listed
HS Code  2930.90.9250
HazardClass  3
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
NFPA 704:
2
2 0

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4-Mercapto-4-methylpentan-2-one Chemical Properties,Usage,Production

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