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| CAS No.: | 18675-24-6 |
|---|---|
| Name: | 2-Methyl-1-decanol |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C11H24O |
| Molecular Weight: | 172.311 |
| Synonyms: | 1-Decanol, 2-methyl-;2-Methyldecan-1-ol; |
| EINECS: | 242-494-2 |
| Density: | 0.828 g/cm3 |
| Melting Point: | 11.58°C (estimate) |
| Boiling Point: | 229.7 °C at 760 mmHg |
| Flash Point: | 94 °C |
| PSA: | 20.23000 |
| LogP: | 3.36540 |
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Specification
The 2-Methyl-1-decanol, with the CAS registry number 18675-24-6, is also known as 1-Decanol, 2-methyl-. Its EINECS number is 242-494-2. This chemical's molecular formula is C11H24O and molecular weight is 172.31. What's more, its systematic name is 2-Methyldecan-1-ol.
Physical properties of 2-Methyl-1-decanol are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1324.75; (6)ACD/BCF (pH 7.4): 1324.75; (7)ACD/KOC (pH 5.5): 5976.16; (8)ACD/KOC (pH 7.4): 5976.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 54.5 cm3; (15)Molar Volume: 207.9 cm3; (16)Polarizability: 21.6×10-24 cm3; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 0.828 g/cm3; (19)Flash Point: 94 °C; (20)Enthalpy of Vaporization: 54.21 kJ/mol; (21)Boiling Point: 229.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0132 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-methyl-decanoic acid ethyl ester at the ambient temperature. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran with the reaction time of 4 hours. The yield is about 60%.
Uses of 2-Methyl-1-decanol: it can be used to produce 1-iodo-2-methyl-decane at the temperature of 70 °C. It will need reagents I2, chlorodiphenylphosphine, imidazole and solvent toluene with the reaction time of 3 hours. The yield is about 76%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC(C)CO
(2)InChI: InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-11(2)10-12/h11-12H,3-10H2,1-2H3
(3)InChIKey: JZEUFFFBEMAJHS-UHFFFAOYSA-N