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| CAS No.: | 1653-30-1 |
|---|---|
| Name: | 2-Undecanol |
| Article Data: | 56 |
| Molecular Structure: | |
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| Formula: | C11H24O |
| Molecular Weight: | 172.311 |
| Synonyms: | 2-Hendecanol(4CI);(?à)-2-Undecanol;2-Hydroxyundecane;Methyl nonyl carbinol;sec-Undecyl alcohol;a-Methyldecanol; |
| EINECS: | 216-722-6 |
| Density: | 0.828 g/cm3 |
| Melting Point: | 2-3 °C |
| Boiling Point: | 228 °C at 760 mmHg |
| Flash Point: | 92.4 °C |
| Solubility: | Not miscible or difficult to mix in water. Soluble in alcohol and ethyl ether. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | Xi,N |
| Risk Codes: | 36/37/38-51/53 |
| Safety: | 26-36-61 |
| PSA: | 20.23000 |
| LogP: | 3.50790 |
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Specification
The 2-Undecanol is an organic compound with the formula C11H24O. The IUPAC name of this chemical is Undecan-2-ol. The CAS registry number of this chemical is 1653-30-1. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about 2-Undecanol are: (1)ACD/LogP: 4.41; (2)ACD/LogD (pH 5.5): 4.41; (3)ACD/LogD (pH 7.4): 4.41; (4)#H bond acceptors: 1; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 9; (7)Polar Surface Area: 20.23 Å2; (8)Index of Refraction: 1.437; (9)Molar Refractivity: 54.5 cm3; (10)Molar Volume: 207.9 cm3; (11)Polarizability: 21.6×10-24 cm3; (12)Surface Tension: 29.2 dyne/cm; (13)Density: 0.828 g/cm3; (14)Flash Point: 92.4 °C; (15)Enthalpy of Vaporization: 54.01 kJ/mol; (16)Boiling Point: 228 °C at 760 mmHg; (17)Vapour Pressure: 0.0147 mmHg at 25 °C.
Preparation: this chemical can be prepared by Undecan-2-one. This reaction is a kind of Meervein-Ponndorf-Verley reaction. This reaction will need reagents 2,7-Dimethyl-1,8-biphenylenediol; Me3Al; 4-Angstroem molecular sieves, catalyst PhMeCHOH and solvents CH2Cl2; hexane. The reaction time is 5 hours with reaction temperature of 20 °C. The yield is about 99%.
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Uses of 2-Undecanol: it can be used to produce Undecan-2-one at temperature of 150 °C. This reaction is a kind of Bromination. It will need reagent nitrous oxide, catalyst Ru(tmp)(O)2 and solvent 1,2-Dichloro-ethane with reaction time of 7.5 hours. The yield is about 97%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
(2)InChIKey: XMUJIPOFTAHSOK-NSHDSACABJ
(3)Std. InChI: InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
(4)Std. InChIKey: XMUJIPOFTAHSOK-UHFFFAOYSA-N