111-31-9
Product Name:
1-Hexanethiol
Formula:
C6H14S
Synonyms:
1-Mercaptohexane;Hexyl mercaptan;MCH;Mercaptan C6
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-hexanethiol is a colorless liquid with an unpleasant odor. |
|---|---|
| Boiling Point | 304 °F at 760 mmHg (NIOSH, 2023) |
| Melting Point | -113 °F (NIOSH, 2023) |
| Flash Point | 68 °F (NIOSH, 2023) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.84 (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 5.04 |
| Vapor Pressure | Vapor pressure, kPa at 40 °C: 0.16 |
| LogP | 5.35 |
| Odor Threshold | Odor Threshold Low: 2.44 [ppm] |
| Refractive Index | 1.444-1.452 |
| Kovats Retention Index | 918 904 904 917 918 910 920 901 908 909 909 914.3 903 |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.24 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 118.08162162 g/mol |
| Monoisotopic Mass | 118.08162162 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 27.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-hexanethiol is a colorless liquid with an unpleasant odor.