111-88-6
Product Name:
1-Mercaptooctane
Formula:
C8H18S
Synonyms:
n-Octyl mercaptan;1-Octanethiol;Mercaptan C8;n-Octyl mercaptan;Octyl mercaptan
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-octanethiol appears as a clear colorless liquid. Flash point 115 °F. Insoluble in water and less dense than water. Used to make other chemicals. |
|---|---|
| Color/Form | Water-white liquid |
| Odor | Mild odor |
| Boiling Point | 390 °F at 760 mmHg (NIOSH, 2023) |
| Melting Point | -57 °F (NIOSH, 2023) |
| Flash Point | 115 °F (NIOSH, 2023) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.84 (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | 5.0 (Air= 1) |
| Vapor Pressure | 3 mmHg at 212 °F (NIOSH, 2023) |
| LogP | 4.21 (estimated) |
| Decomposition | The substance decomposes on burning producing toxic gases including hydrogen sulfide and sulfur oxides. |
| Refractive Index | Index of refraction: 1.4540 at 20 °C/D |
| Kovats Retention Index | 1140 |
| Other Experimental Properties | Gibbs Heat of Formation = 44.6 kJ/mol |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 146.30 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 146.11292175 g/mol |
| Monoisotopic Mass | 146.11292175 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 43.8 |
| 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-octanethiol appears as a clear colorless liquid. Flash point 115 °F. Insoluble in water and less dense than water. Used to make other chemicals.