- 1-Hexadecanol,1-(dihydrogen phosphate)
- 1-Hexadecanol,1,1'-(hydrogen phosphate)
- 1-Hexadecanol,16-mercapto-
- 1-Hexadecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro-
- 1-Hexadecanol,2-dodecyl-
- 1-Hexadecanol,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-,dihydrogen phosphate (9Cl)
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- 114903-05-8Fondaparinux Sodium
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Cas Database |
| Name |
1-Hexadecanol,16-mercapto- |
EINECS | N/A |
| CAS No. | 114896-32-1 | Density | 0.902 g/cm3 |
| PSA | 59.03000 | LogP | 5.36990 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H34OS | Boiling Point | 382.4 °C at 760 mmHg |
| Molecular Weight | 274.511 | Flash Point | 185.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:; |
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| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
16-Hydroxyhexadecanethiol;16-Mercapto-1-hexadecanol;16-Mercaptohexadecanol; |
Article Data | 1 |
1-Hexadecanol,16-mercapto- Synthetic route
- 69839-68-5
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 |
1-Hexadecanol,16-mercapto- 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
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