Cyclohexanthiol
Cyclohexyl mercaptan
CAS: 1569-69-3
Molecular Formula: C6H12S
Cyclohexanthiol - Names and Identifiers
| Name | Cyclohexyl mercaptan |
| Synonyms | THIOCYCLOHEXANE Cyclohexanthiol Cyclohexanethiol CYCLOHEXANETHIOL Cyclohexylmercaptan MERCAPTOCYCLOHEXANE HEXAHYDROTHIOPHENOL CYCLOHEXYL MERCAPTAN Cyclohexyl mercaptan |
| CAS | 1569-69-3 |
| EINECS | 216-378-7 |
| InChI | InChI=1/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 |
Cyclohexanthiol - Physico-chemical Properties
| Molecular Formula | C6H12S |
| Molar Mass | 116.22 |
| Density | 0.95 g/mL at 25 °C (lit.) |
| Melting Point | -30 °C |
| Boling Point | 158-160 °C (lit.) |
| Flash Point | 110°F |
| Water Solubility | insoluble |
| Solubility | insoluble |
| Vapor Presure | 10.3 mm Hg ( 37.7 °C) |
| Vapor Density | 4 (vs air) |
| Appearance | liquid |
| Color | Colorless to Almost colorless |
| BRN | 1236342 |
| pKa | 10.96±0.20(Predicted) |
| Storage Condition | Flammables area |
| Sensitive | Air Sensitive/Stench |
| Explosive Limit | 1.1%(V) |
| Refractive Index | n20/D 1.493(lit.) |
| Physical and Chemical Properties | Boiling point of 0.95-160 deg C, the relative density of 1.4921, refractive index. |
Cyclohexanthiol - Risk and Safety
| Risk Codes | R10 - Flammable R20/22 - Harmful by inhalation and if swallowed. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S57 - Use appropriate container to avoid environmental contamination. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. |
| UN IDs | UN 3054 3/PG 3 |
| WGK Germany | 3 |
| RTECS | GV7525000 |
| HS Code | 29309070 |
| Hazard Note | Irritant/Flammable/Stench/Air Sensitive |
| Hazard Class | 3 |
| Packing Group | III |
Cyclohexanthiol - Reference Information
| LogP | 3.05-3.7 at 35℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | cyclohexanethiol can be used to prepare dicyclohexyl disulfide. Dicyclohexyl disulfide is the main raw material of synthetic rubber scorch retarder CTP. In the process of high-temperature and high-speed rubber processing, the rubber scorch-preventing agent CTP has no adverse effect on the curing characteristics and properties of the rubber, and can improve the storage stability of the unvulcanized rubber. |
| preparation | According to the ratio of the amount of the substance is 1: 1.1~1.3: 0.2 cyclohexene, the hydrogen sulfide and the catalyst W2Ni/Al2O3 are added to a high-pressure reaction kettle, and reacted under the conditions of 200-260 ° C. And 8-25MPa for 3-5 hours to obtain cyclohexanethiol. |
| Use | an intermediate of the scorch inhibitor cyclohexylthiobenzimide. |
| production method | is obtained from cyclohexanol by condensation and hydrolysis. Cyclohexanol, thiourea and hydrobromic acid (40% concentration) were added in a ratio of 1:1:25mol into a three-necked flask, and the mixture was refluxed at 100 ° C. For more than 50H in a water bath. Then according to the amount of hydrobromic acid added 50% concentration of sodium hydroxide aqueous solution, heating hydrolysis 2-3H, take out the static stratification, separation of oil layer. The water layer was acidified with dilute sulfuric acid, extracted with acetic anhydride, the extract and the oil layer were combined, dried with anhydrous sodium sulfate, and distilled under reduced pressure to collect 53-55 ° C. (2.67kPa) fractions to obtain the finished product. |
| category | flammable liquid |
| stimulation data | Skin-rabbits 2 mg/24 h severe; eye-rabbit 500 mg/24 h mild |
| flammability hazard characteristics | flammable; Hyperthermic decomposition of toxic sulfide gases |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Storage and transportation is separated from oxidant |
| extinguishing agent | dry powder, carbon dioxide, water, foam |
| Occupational Standard | CL 0.5 PPM |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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CAS: 1569-69-3
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