2917-26-2
Product Name:
Hexadecanethiol
Formula:
C16H34S
Synonyms:
1-Hexadecanethiol;Cetyl mercaptan;Cetyl mercaptan, Hexadecyl mercaptan;Hexadecyl mercaptan;Mercaptan C16
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-hexadecanethiol appears as colorless liquid or white solid (below 19 °C) with a strong unpleasant odor. Density (as liquid at 25 °C): 0.83 g/cm3. |
|---|---|
| Melting Point | 64 to 68 °F (NIOSH, 2023) |
| Flash Point | 215 °F (NIOSH, 2023) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.85 (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 8.9 |
| Vapor Pressure | 0.1 mmHg (NIOSH, 2023) |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation H320:Serious eye damage/eye irritation H413:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 258.5 g/mol |
|---|---|
| XLogP3 | 8.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 14 |
| Exact Mass | 258.23812226 g/mol |
| Monoisotopic Mass | 258.23812226 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 123 |
| 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
1-hexadecanethiol appears as colorless liquid or white solid (below 19 °C) with a strong unpleasant odor. Density (as liquid at 25 °C): 0.83 g/cm3.