3-Mercaptohexyl acetate
- Product Name3-Mercaptohexyl acetate
- CAS136954-20-6
- CBNumberCB1161809
- MFC8H16O2S
- MW176.28
- EINECS603-987-1
- MDL NumberMFCD00792516
- MOL File136954-20-6.mol
Chemical Properties
| Boiling point: | 235.7±23.0 °C(Predicted) |
| Density | 0.987±0.06 g/cm3(Predicted) |
| refractive index | 1.4560 to 1.4600 |
| FEMA | 3851 | 3-MERCAPTOHEXYL ACETATE |
| Flash point: | 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 |
| Odor Type | fruity |
| biological source | synthetic |
| 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 | 1-Hexanol, 3-mercapto-, 1-acetate (136954-20-6) |
Safety
| Symbol(GHS) |
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| 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 | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
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