CAS No.3381-26-8,11-Heneicosanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3381-26-8
Name:	11-Heneicosanol
Article Data:	10

Formula:	C₂₁H₄₄O
Molecular Weight:	312.58
Synonyms:	Henicosan-11-ol;Di-n-decyl carbinol;
EINECS:	222-184-3
Density:	0.837 g/cm³
Melting Point:	71-72 °C
Boiling Point:	370.3 °C at 760 mmHg
Flash Point:	131.5 °C
PSA:	20.23000
LogP:	7.40890

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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