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11-Heneicosanol

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Name

11-Heneicosanol

EINECS 222-184-3
CAS No. 3381-26-8 Density 0.837 g/cm3
Solubility Melting Point 71-72 °C
Formula C21H44O Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 312.57 Flash Point 131.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 3381-26-8 (11-Heneicosanol) Hazard Symbols
Synonyms

Henicosan-11-ol;Di-n-decyl carbinol;

 

11-Heneicosanol Specification

The 11-Heneicosanol, with the CAS registry number 3381-26-8, is also known as Di-n-decyl carbinol. Its EINECS number is 222-184-3. This chemical's molecular formula is C21H44O and molecular weight is 312.57. What's more, its IUPAC name is Henicosan-11-ol. It is stable at room temperature and pressure, and it should be sealed and stored in a cool and dry place and be protected from light.

Physical properties of 11-Heneicosanol are: (1)ACD/LogP: 9.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.72; (4)ACD/LogD (pH 7.4): 9.72; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4644794; (8)ACD/KOC (pH 7.4): 4644794; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 100.83 cm3; (15)Molar Volume: 373 cm3; (16)Polarizability: 39.97×10-24 cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 0.837 g/cm3; (19)Flash Point: 131.5 °C; (20)Enthalpy of Vaporization: 71.42 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCC(CCCCCCCCCC)O
(2)InChI: InChI=1S/C21H44O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
(3)InChIKey: BCNCKKYOXRHQGT-UHFFFAOYSA-N

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