1569-69-3
Product Name:
Cyclohexyl mercaptan
Formula:
C6H12S
Synonyms:
Cyclohexyl mercaptan;Hexahydrothiophenol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Cyclohexanethiol appears as a colorless liquid with a strong disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 50 °F. |
|---|---|
| Color/Form | Liquid |
| Odor | Strong offensive odor. |
| Boiling Point | 316 °F at 760 mmHg (NIOSH, 2023) |
| Melting Point | -181 °F (NIOSH, 2023) |
| Flash Point | 110 °F (NIOSH, 2023) |
| Solubility | Insoluble (NIOSH, 2023) |
| Density | 0.98 (NIOSH, 2023) - Less dense than water; will float |
| Vapor Density | 4.00 (AIR= 1) |
| Vapor Pressure | 10 mmHg (NIOSH, 2023) |
| Refractive Index | MAX ABSORPTION (CYCLOHEXANE): 230 NM (LOG E= 2.14); INDEX OF REFRACTION: 1.4921 AT 20 °C/D; SADTLER REFERENCE NUMBER: 19137 (IR, PRISM); 5009 (NMR) |
| Kovats Retention Index | 983 983 |
| Other Experimental Properties | The rate constant(k1) for the reaction of singlet oxygen with cyclohexanethiol is 1.3X10+7 /M sec. |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H331:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.23 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 116.06597156 g/mol |
| Monoisotopic Mass | 116.06597156 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 46.1 |
| 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
Cyclohexanethiol appears as a colorless liquid with a strong disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point near 50 °F.