1-Hexadecanol,16-mercapto- supplier

Name
16-MERCAPTO-1-HEXADECANOL
EINECS
CAS No. 114896-32-1
Article Data1
CAS DataBase
Density 0.902 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₄OS
Boiling Point 382.4 °C at 760 mmHg
Molecular Weight 274.511
Flash Point 185.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 16-Hydroxyhexadecanethiol;16-Mercapto-1-hexadecanol;16-Mercaptohexadecanol;
PSA 59.03000
LogP 5.36990

Synthetic route

: 69839-68-5
16-mercaptohexadecanoic acid

: 114896-32-1
16-mercapto-1-hexadecanol

Conditions

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

: C69H126N6O25S

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide for 6h; Inert atmosphere;	95%

: 114896-32-1
16-mercapto-1-hexadecanol

: bis(16-hydroxyhexadecyl)disulfide

Conditions

Conditions	Yield
With iodine In methanol

: 114896-32-1
16-mercapto-1-hexadecanol

: bis[16-((4-pyridinylcarbonyl)oxy)hexadecyl]disulfide

Conditions

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

Product Name

16-MERCAPTO-1-HEXADECANOL

Synthetic route

1-Hexadecanol,16-mercapto- Specification

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