108-98-5
Product Name:
Thiophenol
Formula:
C6H6S
Synonyms:
Benzenethiol;Phenyl mercaptan;Thiophenol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phenyl mercaptan appears as a clear liquid with a repulsive odor. Boiling point 168.3 °C. Insoluble in water and denser than water. Very toxic by ingestion, skin absorption, and by inhalation. Used as a chemical intermediate and in mosquito control. |
|---|---|
| Color/Form | Water-white liquid |
| Odor | Repulsive, penetrating, garlic-like odor, especially when impure |
| Boiling Point | 334.9 °F at 760 mmHg (EPA, 1998) |
| Melting Point | 5.4 °F (EPA, 1998) |
| Flash Point | 127 °F (USCG, 1999) |
| Solubility | 0.08 % at 77 °F (NIOSH, 2023) |
| Density | 1.0728 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Density | Relative vapor density (air = 1): 3.8 |
| Vapor Pressure | 1 mmHg at 65.48 °F (EPA, 1998) |
| LogP | log Kow = 2.52 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition or on contact with acids it emits toxic fumes of SOx /sulfur oxides/. |
| pH | Feebly acidic |
| Ionization Potential | 8.33 eV |
| Odor Threshold | Odor Threshold Low: 0.00003 [mmHg] Odor Threshold High: 0.0003 [mmHg] Detection odor threshold from AIHA (mean = 0.00030 ppm) |
| Refractive Index | Index of refraction: 1.5893 at 20 °C/D |
| Dissociation Constants | pKa = 6.62 |
| Kovats Retention Index | 949.4 |
| Other Experimental Properties | Hydrogen of SH group is easily replaced by metals. Heat of fusion: 24.90 calories/g; specific heat: 0.3829 at 25 deg |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H361:Reproductive toxicity H372:Specific target organ toxicity, repeated exposure 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. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 110.18 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 110.01902136 g/mol |
| Monoisotopic Mass | 110.01902136 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
Phenyl mercaptan appears as a clear liquid with a repulsive odor. Boiling point 168.3 °C. Insoluble in water and denser than water. Very toxic by ingestion, skin absorption, and by inhalation. Used as a chemical intermediate and in mosquito control.