A1201212
2-Butanethiol , 95% , 513-53-1
Synonym(s):
2-Butanethiol;sec-Butyl mercaptan, 1-Methyl-1-propanthiol
CAS NO.：513-53-1
Empirical Formula: C4H10S
Molecular Weight: 90.19
MDL number: MFCD00004865
EINECS: 208-165-2
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -165° |
| Boiling point: | 84.6-85.2 °C(lit.) |
| Density | 0.83 g/mL at 25 °C(lit.) |
| vapor pressure | 142 mm Hg ( 37.7 °C) |
| refractive index | n |
| Flash point: | 70 °F |
| storage temp. | Store below +30°C. |
| solubility | 1.32g/l |
| form | liquid |
| pka | 10.92±0.10(Predicted) |
| color | Colorless to Almost colorless |
| Specific Gravity | 0.83 |
| Odor | sulfurous |
| Odor Threshold | 0.00003ppm |
| explosive limit | 1.7-9.6%(V) |
| Merck | 14,1578 |
| Henry's Law Constant | 1.3×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004) |
| InChI | 1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3 |
| InChIKey | LOCHFZBWPCLPAN-UHFFFAOYSA-N |
| SMILES | SC(CC)C |
| LogP | 2.180 |
| CAS DataBase Reference | 513-53-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butanethiol(513-53-1) |
| EPA Substance Registry System | 2-Butanethiol (513-53-1) |
Description and Uses
sec-Butyl Mercaptan is used in the preparation of arylsulfides via palladium catalyzed thioetherification of aryl bromides and iodides.
Safety
| Symbol(GHS) |    GHS02,GHS07,GHS09 |
| Signal word | Danger |
| Hazard statements | H315-H319-H317-H335-H411-H225 |
| Precautionary statements | P501-P273-P272-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P333+P313-P304+P340+P312-P403+P233-P403+P235-P405 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36/37/38 |
| Safety Statements | 16-26-36 |
| RIDADR | UN 2347 3/PG 2 |
| WGK Germany | 3 |
| F | 13 |
| TSCA | TSCA listed |
| HazardClass | 3.1 |
| PackingGroup | II |
| HS Code | 29309070 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 2 |
| Hazardous Substances Data | 513-53-1(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 5176 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
