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| CAS No.: | 1569-69-3 |
|---|---|
| Name: | Cyclohexyl mercaptan |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12S |
| Molecular Weight: | 116.227 |
| Synonyms: | Cyclohexylmercaptan;Cyclohexylthiol;Mercaptocyclohexane;NSC 59723; |
| EINECS: | 216-378-7 |
| Density: | 0.939 g/cm3 |
| Melting Point: | -30 °C |
| Boiling Point: | 157.905 °C at 760 mmHg |
| Flash Point: | 43.333 °C |
| Solubility: | insoluble in water |
| Appearance: | Clear liquid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 10-20/22-36/37/38-51/53 |
| Safety: | 16-26-37/39-57 |
| Transport Information: | UN 3054 |
| PSA: | 38.80000 |
| LogP: | 2.24890 |
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- 10039-63-1
S-cyclohexyl ethanethioate
- 1569-69-3
Cyclohexanethiol
| Conditions | Yield |
|---|---|
| With palladium diacetate In methanol for 1h; Heating; | 96% |
| With polymer-supported potassium thiophenolate In tetrahydrofuran; methanol at 20℃; for 2.5h; | 94% |
| With potassium hydroxide |
- 124-40-3
dimethyl amine
A
- 1569-69-3
Cyclohexanethiol
B
- 30971-68-7
pentacarbonyl[(N,N-dimethylamino)(phenyl)carbene]chromium(0)
| Conditions | Yield |
|---|---|
| With sodium hydroxide In diethyl ether under inert gas; soln. of Cr-complex ether, addn. of 40% aq. Me2NH soln., addn. of NaOH, color change from deep brown to yellow; ether phase dried (Na2SO4), evapn. (20°C/15 Torr); elem. anal.; | A n/a B 92% |
| Conditions | Yield |
|---|---|
| With tetrabutylammonium borohydride In tert-butyl alcohol for 5h; Heating; | 90% |
| With cobalt-polysulfide at 150 - 185℃; under 47808 Torr; Hydrogenolyse; | |
| With molybdenum-polysulfide at 150 - 185℃; under 47808 Torr; Hydrogenolyse; |
- 51350-51-7
S-Cyclohexylisothiuroniumbromid
- 1569-69-3
Cyclohexanethiol
| Conditions | Yield |
|---|---|
| In water; acetic acid electroreduction on Hg-cathode, 0.8 A; | 81% |
- 102-54-5
ferrocene
- 1564-39-2
1-oxa-4-thiaspiro-<4,5>decan-2-one
A
- 1569-69-3
Cyclohexanethiol
D
- 2550-40-5
1,2-dicyclohexyl disulfide
| Conditions | Yield |
|---|---|
| aluminium trichloride In carbon disulfide excess ferrocene, mixture is stirred for 24 h at room temp.; addn. of 10% HCl soln., extn. with CHCl3 and CH2Cl2, ext. is washed with water, aq. Na2CO3 soln., water; dried over MgSO4, solvent is removed by distn. under reduced pressure, HPLC, preparative thin layer chromy.; | A 2% B 5% C 80% D 2% |
| Conditions | Yield |
|---|---|
| With dicyclohexyl sulfide; hydrogen sulfide In acetonitrile at 25℃; for 2h; Reagent/catalyst; Electrolysis; | 77% |
| With hydrogen sulfide; boron trifluoride; pentane at 30 - 40℃; weitere Reagenzien: fluessiger HF, Phosphorsaeure; | |
| With hydrogen sulfide; boron trifluoride; pentane at 30 - 40℃; weitere Reagenzien: fluessiger HF, Phosphorsaeure; |
| Conditions | Yield |
|---|---|
| With n-butyllithium In diethyl ether at 25℃; for 6h; | 73% |
- 1564-39-2
1-oxa-4-thiaspiro-<4,5>decan-2-one
- 71-43-2
benzene
A
- 1569-69-3
Cyclohexanethiol
B
- 2550-40-5
1,2-dicyclohexyl disulfide
C
- 7570-92-5
cyclohexyl phenyl sulphide
D
- 52363-15-2
2-cyclohexylthioacetic acid
E
- 141622-49-3
spiro-4'-one
F
- 141622-63-1
<<1-(phenyl)-cyclohexyl>thio>acetic acid
| Conditions | Yield |
|---|---|
| With aluminium trichloride for 24h; Product distribution; Mechanism; Ambient temperature; other arenes; | A 2% B 3% C 2% D 5% E 70% F 6% |
- 1569-69-3
Cyclohexanethiol
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran; methanol at 20℃; for 1.5h; | 51% |
- 108-91-8
cyclohexylamine
A
- 1569-69-3
Cyclohexanethiol
B
- 92-51-3
cyclohexylcyclohexane
C
- 110-82-7
cyclohexane
D
- 2550-40-5
1,2-dicyclohexyl disulfide
E
- 7133-46-2
dicyclohexyl sulfide
F
- 110-83-8
cyclohexene
| Conditions | Yield |
|---|---|
| With hydrogen sulfide; hydrogen; sulphided Ni-W at 300℃; for 6h; Product distribution; Heating; | A 4.9% B 0.03% C 0.6% D 0.8% E 0.04% F 0.3% G n/a |
- Total:14 Page 1 of 1 1
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Chemistry
IUPAC Name: Cyclohexanethiol
Molecular Formula: C6H12S
Molecular Weight: 116.22g/mol
EINECS: 216-378-7
Density: 0.93 g/cm3
Melting Point: -30 °C
Boiling Point: 157.9 °C at 760 mmHg
Flash Point: 43.3 °C
Solubility: insoluble
Appearance: clear liquid
Liansport Information: 180kgs
Sensitive: air sensitive/stench
Storage Temperature: flammables area
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.487
Molar Refractivity: 35.61 cm3
Molar Volume: 123.7 cm3
Polarizability: 14.11× 10-24 cm3
Surface Tension: 30.8 dyne/cm
Enthalpy of Vaporization: 37.06 kJ/mol
Vapour Pressure: 3.49 mmHg at 25°C
The chemical synonyms of Cyclohexylmercaptan (1569-69-3) are Cyclohexyl thiol ; cyclohexylthiol ; Cyklohexanthiol ; Cyklohexylmerkaptan ; Cyklohexylmerkaptan(czech) ; Mercaptancyclohexylique ; Thiocyclohexane ; Mercaptocyclohexane .The molecular structure of Cyclohexylmercaptan (1569-69-3) is 
.
Uses
Cyclohexylmercaptan (1569-69-3) is used as anti-coke agent Cyclohexyl thio-phthalimide intermediate.
Toxicity Data With Reference
| 1. | skn-rbt 2 mg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,984. | ||
| 2. | eye-rbt 500 mg/24H MLD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,984. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
An eye and severe skin irritant. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS.
Hazard Codes: .gif)
Xn,.gif)
F,Xi,.gif)
N
Xn: Harmful
Xi: Irritant
F: Highly Flammable
N: Dangerous for the environment
Risk Statements: 10-20/22-51/53-36/37/38
10: Flammable
20/22: Harmful by inhalation and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 36/37/39-57-37/39-26-16
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection
57: Use appropriate container to avoid environmental contamination
HazardClass: 3
Standards and Recommendations
NIOSH REL: (Cyclohexanethiol) CL 0.5 ppm/15M
DOT Classification: 3; Label: Flammable Liquid
Specification
It may cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. It easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Its extinguishing agents is carbon dioxide, water, foam and dry powder.