136954-20-6

Name 3-Mercaptohexyl acetate
CAS 136954-20-6
EINECS(EC#) 603-987-1
Molecular Formula C8H16O2S
MDL Number MFCD00792516
Molecular Weight 176.28
MOL File 136954-20-6.mol
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Chemical Properties

Boiling point  235.7±23.0 °C(Predicted)
density  0.987±0.06 g/cm3(Predicted)
FEMA  3851
refractive index  1.4560 to 1.4600
Fp  73°
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  Chloroform (Sparingly),Methanol (Slightly)
form  Oil
pka 10.53±0.10(Predicted)
color  Colourless
Odor at 0.10 % in dipropylene glycol. floral fruity pear tropical passion fruit blackberry raspberry black currant bud
biological source synthetic
Odor Type fruity
JECFA Number 554
Stability: Hygroscopic
Major Application flavors and fragrances
InChI 1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
InChIKey JUCARGIKESIVLB-UHFFFAOYSA-N
SMILES CCCC(S)CCOC(C)=O
LogP 2.54
CAS DataBase Reference 136954-20-6(CAS DataBase Reference)
NIST Chemistry Reference 3-Mercaptohexyl acetate(136954-20-6)
EPA Substance Registry System 136954-20-6(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P271-P280
Hazard Codes  Xi
WGK Germany  WGK 3
Hazard Note  Irritant
TSCA  TSCA listed
REACH Registrations Active
HS Code  2930909899
Storage Class 10 - Combustible liquids

Hazard Information

Spectrum Detail

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