1-Pentanethiol
- Product Name1-Pentanethiol
- CAS110-66-7
- CBNumberCB2108908
- MFC5H12S
- MW104.21
- EINECS203-789-1
- MDL NumberMFCD00004907
- MOL File110-66-7.mol
Chemical Properties
| Melting point: | −75.7 to −75.69 °C (−104.26 to −104.24 °F; 197.45 to 197.46 K) |
| Boiling point: | 126.6 °C (259.9 °F; 399.8 K) |
| Density | 0.8421 g/cm3 (at 20 °C) |
| vapor density | 3.59 |
| vapor pressure | 27.4 mm Hg ( 37.7 °C) |
| FEMA | 4333 | 1-PENTANETHIOL |
| refractive index | 1.45 |
| Flash point: | 18 °C; 65 °F; 291 K |
| storage temp. | Store below +30°C. |
| solubility | 0.16g/l |
| pka | 10.51±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 0.10 % in propylene glycol. sulfurous fatty roasted meaty vegetable |
| Odor Type | sulfurous |
| Odor Threshold | 0.00000078ppm |
| biological source | synthetic |
| Water Solubility | practically insoluble |
| Sensitive | Air Sensitive |
| Merck | 14,611 |
| JECFA Number | 1662 |
| BRN | 1730979 |
| Henry's Law Constant | 8.7×10-4 mol/(m3Pa) at 25℃, Plyasunova et al. (2004) |
| Exposure limits | NIOSH: Ceiling 0.5 ppm(2.1 mg/m3) |
| Dielectric constant | 4.5499999999999998 |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| InChIKey | ZRKMQKLGEQPLNS-UHFFFAOYSA-N |
| SMILES | CCCCCS |
| LogP | 2.74 |
| CAS DataBase Reference | 110-66-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Pentanethiol(110-66-7) |
| EPA Substance Registry System | Amyl mercaptan (110-66-7) |
Safety
| Symbol(GHS) |
  GHS02,GHS06 |
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| Signal word | Danger | |||||||||
| Hazard statements | H331-H302+H312-H315-H319-H317-H335-H225 | |||||||||
| Precautionary statements | P501-P261-P272-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P311-P403+P233-P403+P235-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xn | |||||||||
| Risk Statements | 11-20/22-36/37/38 | |||||||||
| Safety Statements | 16-23-24/25-37/39-26 | |||||||||
| RIDADR | UN 1111 | |||||||||
| OEL | Ceiling: 0.5 ppm (2.1 mg/m3) [15-minute] | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | SA3150000 | |||||||||
| F | 9-13-23 | |||||||||
| 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 Flam. Liq. 2 |
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| Hazardous Substances Data | 110-66-7(Hazardous Substances Data) | |||||||||
| Toxicity | LCLo ihl-rat: 2000 ppm/4H JIHTAB 31,343,49 | |||||||||
| NFPA 704: |
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