Allyl mercaptan
- Product NameAllyl mercaptan
- CAS870-23-5
- CBNumberCB9854503
- MFC3H6S
- MW74.14
- EINECS212-792-7
- MDL NumberMFCD00004894
- MOL File870-23-5.mol
Chemical Properties
| Melting point: | 175-176 °C(Solv: benzene (71-43-2)) |
| Boiling point: | 69 °C |
| Density | 0.90 |
| refractive index | 1.48 |
| FEMA | 2035 | ALLYL MERCAPTAN |
| Flash point: | 21 °C |
| storage temp. | -20°C |
| solubility | Not miscible or difficult to mix. |
| form | clear liquid |
| pka | 9.83±0.10(Predicted) |
| color | Colorless to Almost colorless |
| Odor | at 0.10 % in propylene glycol. alliaceous sulfurous garlic onion roasted |
| Odor Type | sulfurous |
| biological source | synthetic |
| Sensitive | Air Sensitive |
| JECFA Number | 521 |
| BRN | 1697523 |
| Henry's Law Constant | 1.2×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Stability: | Stable, but highly flammable. Incompatible with strong bases, strong oxidizing agents, reactive metals. |
| Major Application | flavors and fragrances |
| InChI | 1S/C3H6S/c1-2-3-4/h2,4H,1,3H2 |
| InChIKey | ULIKDJVNUXNQHS-UHFFFAOYSA-N |
| SMILES | SCC=C |
| LogP | 1.51 |
| CAS DataBase Reference | 870-23-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Allyl mercaptan(870-23-5) |
| EPA Substance Registry System | 2-Propene-1-thiol (870-23-5) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H302+H312+H332-H315-H319-H336-H225 | |||||||||
| Precautionary statements | P501-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F | |||||||||
| Risk Statements | 11 | |||||||||
| Safety Statements | 16-33-9 | |||||||||
| RIDADR | UN 1228 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-13-23 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
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| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Not Permitted as Excepted Quantity | |||||||||
| NFPA 704: |
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