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| CAS No.: | 73768-94-2 |
|---|---|
| Name: | 11-Mercapto-1-undecanol |
| Molecular Structure: | |
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|
|
| Formula: | C11H24OS |
| Molecular Weight: | 204.377 |
| Synonyms: | 11-sulfanylundecan-1-ol;11-mercaptoundecanol;1-Undecanol, 11-mercapto-;11-Hydroxy-1-undecanethiol;11-Hydroxyundecane-1-thiol;11-Mercapto-1-Undecanethiol;11-Mercapto-1-undecanol solution; |
| Density: | 0.922 g/cm3 |
| Melting Point: | 33-37 °C |
| Boiling Point: | 303.979 °C at 760 mmHg |
| Flash Point: | 137.642 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 36-26 |
| PSA: | 59.03000 |
| LogP: | 3.41940 |
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- 73768-94-2
11-mercapto-1-undecanol
| Conditions | Yield |
|---|---|
| With sodium hydroxide Yield given; |
- 73768-96-4
thioacetic acid S-(11-hydroxy-undecyl) ester
A
- 73768-94-2
11-mercapto-1-undecanol
B
- 119438-02-7
11-hydroxyundecyldisulfide
| Conditions | Yield |
|---|---|
| With sodium methylate Yield given; |
- 1611-56-9
1-Bromo-11-hydroxyundecane
- 73768-94-2
11-mercapto-1-undecanol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Na / methanol / 6 h / Heating 2: CH3ONa View Scheme | |
| Multi-step reaction with 2 steps 1: ethanol 2: 10percent aq. NaOH View Scheme | |
| Stage #1: 1-Bromo-11-hydroxyundecane With thiourea In dimethyl sulfoxide at 20℃; for 21h; Stage #2: With potassium hydroxide In water; dimethyl sulfoxide at 80℃; for 0.0833333h; | 7.2 g |
| Stage #1: 1-Bromo-11-hydroxyundecane With thiourea In ethanol Heating; Inert atmosphere; Stage #2: With sodium hydroxide In water Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; Hg In ethanol; water |
- 73768-94-2
11-mercapto-1-undecanol
- 119438-02-7
11-hydroxyundecyldisulfide
| Conditions | Yield |
|---|---|
| With iodine In ethanol for 1h; Ambient temperature; | 100% |
| With iodine In dichloromethane | 100% |
| With N-chloro-succinimide In dichloromethane for 0.166667h; Inert atmosphere; | 98% |
- 934499-56-6
1-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfanyl]dodecane
- 73768-94-2
11-mercapto-1-undecanol
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 0.25h; | 99% |
- 1262447-14-2
1-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)trisulfanyl]dodecane
- 73768-94-2
11-mercapto-1-undecanol
- 1262447-16-4
11-(dodec-1-yl-trisulfanyl)undecan-1-ol
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 0.25h; air; | 99% |
- 934751-37-8
(5,5-dimethyl-2-thiono-1,3,2-dioxophosphorinanyl) sulfenyl bromide
- 73768-94-2
11-mercapto-1-undecanol
- 1170712-93-2
11-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)di-sulfanyl]undecan-1-ol
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 0.5h; Inert atmosphere; | 95% |
| In dichloromethane at -30 - 20℃; for 0.5h; Inert atmosphere; | 4.42 g |
| In dichloromethane at 20℃; for 0.5h; Inert atmosphere; | 4.42 g |
- 4073-59-0
bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinan-2-yl)disulfide
- 73768-94-2
11-mercapto-1-undecanol
- 1170712-93-2
11-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)di-sulfanyl]undecan-1-ol
| Conditions | Yield |
|---|---|
| Stage #1: bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinan-2-yl)disulfide With bromine In dichloromethane at -30℃; for 0.25h; Inert atmosphere; Stage #2: 11-mercapto-1-undecanol In dichloromethane at 20℃; for 0.5h; | 95% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 0℃; for 0.0833333h; Solvent; | 89% |
| Stage #1: bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinan-2-yl)disulfide With bromine Stage #2: 11-mercapto-1-undecanol |
- 73768-94-2
11-mercapto-1-undecanol
- 155142-78-2
1-(4'-methoxyphenyl)-2-<4'-(benzyloxy)phenyl>ethanol
| Conditions | Yield |
|---|---|
| With zinc(II) iodide In 1,2-dichloro-ethane for 1.5h; Ambient temperature; | 93% |
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Specification
The 11-Mercapto-1-undecanol, with the cas registry number 73768-94-2, has the systematic name of 11-sulfanylundecan-1-ol. It belongs to the product category of fatty alcohol series. And the molecular formula of the chemical is C11H24OS.
The characteristics of this chemical are as followings: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 797.042; (6)ACD/BCF (pH 7.4): 796.407; (7)ACD/KOC (pH 5.5): 4154.129; (8)ACD/KOC (pH 7.4): 4150.816; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 59.03 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 62.442 cm3; (15)Molar Volume: 221.664 cm3; (16)Polarizability: 24.754×10-24cm3; (17)Surface Tension: 34.798 dyne/cm; (18)Density: 0.922 g/cm3; (19)Flash Point: 137.642 °C; (20)Enthalpy of Vaporization: 63.129 kJ/mol; (21)Boiling Point: 303.979 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(CCCCCO)CCCCCS
(2)InChI: InChI=1/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
(3)InChIKey: ULGGZAVAARQJCS-UHFFFAOYAW