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| CAS No.: | 114896-32-1 |
|---|---|
| Name: | 16-MERCAPTO-1-HEXADECANOL |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C16H34OS |
| Molecular Weight: | 274.511 |
| Synonyms: | 16-Hydroxyhexadecanethiol;16-Mercapto-1-hexadecanol;16-Mercaptohexadecanol; |
| Density: | 0.902 g/cm3 |
| Boiling Point: | 382.4 °C at 760 mmHg |
| Flash Point: | 185.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 59.03000 |
| LogP: | 5.36990 |
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16-mercaptohexadecanoic acid
- 114896-32-1
16-mercapto-1-hexadecanol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether |
- 114896-32-1
16-mercapto-1-hexadecanol
- 241820-93-9
1,3,2′,6′,2‴,6‴-hexa-N-(tert-butoxycarbonyl)-5″-O-(2,4,6-triisopropylbenzenesulfonyl)-neomycin
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide for 6h; Inert atmosphere; | 95% |
- 114896-32-1
16-mercapto-1-hexadecanol
| Conditions | Yield |
|---|---|
| With iodine In methanol |
- 114896-32-1
16-mercapto-1-hexadecanol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: I2 / methanol 2: 1,3-dicyclohexylcarbodiimide; 4-(dimethylamino)pyridine / CH2Cl2 / 0 - 20 °C View Scheme |
- Total:29 Page 1 of 1 1
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Specification
The 1-Hexadecanol,16-mercapto- is an organic compound with the formula C16H34OS. The systematic name of this chemical is 16-Sulfanylhexadecan-1-ol. With the CAS registry number 114896-32-1, it is also named as 16-Mercaptohexadecanol. The product's categories are None; Alkyl; Other. Besides, its molecular weight is 274.51.
Physical properties about 1-Hexadecanol,16-mercapto- are: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 17; (6)Polar Surface Area: 34.53 Å2; (7)Index of Refraction: 1.474; (8)Molar Refractivity: 85.6 cm3; (9)Molar Volume: 304.1 cm3; (10)Polarizability: 33.93×10-24 cm3; (11)Surface Tension: 34.5 dyne/cm; (12)Density: 0.902 g/cm3; (13)Flash Point: 185.1 °C; (14)Enthalpy of Vaporization: 72.96 kJ/mol; (15)Boiling Point: 382.4 °C at 760 mmHg; (16)Vapour Pressure: 2.02E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H34OS/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
(2)InChIKey: GRUQGBJWKWOITP-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C16H34OS/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
(4)Std. InChIKey: GRUQGBJWKWOITP-UHFFFAOYSA-N