1-Butanethiol
ALDRICH/W347809 - ≥98%
Synonym: Butyl mercaptan; Mercaptan C4
CAS Number: 109-79-5
Empirical Formula (Hill Notation): C4H10S
Molecular Weight: 90.19
EC Number: 203-705-3
MDL Number: MFCD00004905
Linear Formula: CH3(CH2)3SH
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 98 °C (lit.) |
| density | 0.842 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | Kosher |
| InChI | 1S/C4H10S/c1-2-3-4-5/h5H, |
| InChI key | WQAQPCDUOCURKW-UHFFFAOYSA |
| mp | −116 °C (lit.) |
| organoleptic | sulfurous |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| SMILES string | CCCCS |
| vapor density | 3.1 (vs air) |
| vapor pressure | 83 mmHg ( 37.7 °C) |
| Disclaimer: | For R&D or non-EU Food use. Not for retail sale. |
| General description: | 1-Butanethiol is a volatile sulfur-containing odorous compound that is reported to occur in skunk oil. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 4 kg in steel drum |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H302 + H332 - H315 - H317 - H319 - H335 |
| Precautionary statements | P210 - P280 - P301 + P312 + P330 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-20/22-36/37/38-43 |
| Safety Statements | 16-23-26-36-37 |
| RIDADR | UN 2347 3 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 53.6 °F - closed cup |
| Flash Point(C) | 12 °C - closed cup |
| Purity | ≥98% |
| bp | 98 °C (lit.) |
| mp | −116 °C (lit.) |
| Density | 0.842 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3478 |
| UNSPSC | 12164502 |