1,3-Dimercaptopropane
- Product Name1,3-Dimercaptopropane
- CAS109-80-8
- CBNumberCB8287704
- MFC3H8S2
- MW108.23
- EINECS203-706-9
- MDL NumberMFCD00004904
- MOL File109-80-8.mol
Chemical Properties
| Melting point: | −79 °C (−110 °F; 194 K) |
| Boiling point: | 169 °C (336 °F; 442 K) |
| Density | 1.078 g/cm3 |
| vapor density | >1 (vs air) |
| vapor pressure | 5 mm Hg ( 37.7 °C) |
| FEMA | 3588 | 1,3-PROPANEDITHIOL |
| refractive index | 1.539 |
| Flash point: | 138 °C (280 °F; 411 K) |
| storage temp. | Store below +30°C. |
| pka | 9.86±0.10(Predicted) |
| form | liquid |
| color | Colorless |
| Specific Gravity | 1.078 |
| Odor | at 0.10 % in propylene glycol. meaty sulfurous |
| Odor Type | meaty |
| biological source | synthetic |
| Water Solubility | <0.1 g/100 mL at 21 ºC |
| Merck | 14,7801 |
| JECFA Number | 535 |
| BRN | 1071197 |
| Stability: | Stable. Incompatible with oxidizing agents, bases, reducing agents, alkali metals. Store cool. |
| Major Application | flavors and fragrances |
| InChI | 1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey | ZJLMKPKYJBQJNH-UHFFFAOYSA-N |
| SMILES | SCCCS |
| LogP | 1.70 |
| CAS DataBase Reference | 109-80-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Propanedithiol(109-80-8) |
| EPA Substance Registry System | 1,3-Propanedithiol (109-80-8) |
Safety
| Symbol(GHS) |
  GHS02,GHS06 |
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| Signal word | Danger | |||||||||
| Hazard statements | H226-H301-H315 | |||||||||
| Precautionary statements | P210-P233-P240-P241-P301+P310-P303+P361+P353 | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-24/25 | |||||||||
| RIDADR | 3336 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | TZ2585500 | |||||||||
| F | 13 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 3 Oral Flam. Liq. 3 Skin Irrit. 2 |
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| Toxicity | LD50 orally in Rabbit: > 50 - 300 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
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