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3-Mercapto-3-methyl-1-butyl-1-formate Structure

3-Mercapto-3-methyl-1-butyl-1-formate

  • Product Name3-Mercapto-3-methyl-1-butyl-1-formate
  • CAS50746-10-6
  • CBNumberCB4200541
  • MFC6H12O2S
  • MW148.22
  • MDL NumberMFCD08457872
  • MOL File50746-10-6.mol

Chemical Properties

Boiling point: 196℃
Density  1.019
refractive index  n20/D1.460-1.462
FEMA  3855 | 3-MERCAPTO-3-METHYLBUTYL FORMATE
Flash point: 76℃
storage temp.  Inert atmosphere,2-8°C
solubility  Chloroform (Sparingly), Methanol (Slightly)
pka 10.88±0.10(Predicted)
form  solid
color  Colourless
Odor at 0.10 % in dipropylene glycol. sulfurous catty caramelised onion; roast coffee, roast meat, with a tropical nuance on dilution
Odor Type sulfurous
JECFA Number 549
InChI InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
InChIKey VTAPYUYITKYXJB-UHFFFAOYSA-N
SMILES C(OC=O)CC(S)(C)C
LogP 1.42

Safety

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H315-H319-H413-H372
Precautionary statements  P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
WGK Germany  3
Storage Class 11 - Combustible Solids

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