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| CAS No.: | 624-22-6 |
|---|---|
| Name: | 2-METHYL-1-HEXANOL |
| Molecular Structure: | |
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| Formula: | C7H16O |
| Molecular Weight: | 116.203 |
| Synonyms: | 2-Methyl-1-hexanol;2-Methylhexanol; |
| EINECS: | 210-837-5 |
| Density: | 0.818 g/cm3 |
| Melting Point: | -30.45°C (estimate) |
| Boiling Point: | 161.3 °C at 760 mmHg |
| Flash Point: | 61.8 °C |
| PSA: | 20.23000 |
| LogP: | 1.80500 |
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- Total:23 Page 1 of 1 1
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Specification
This chemical is called 1-Hexanol, 2-methyl-, and its systematic name is 2-Methylhexan-1-ol. With the molecular formula of C7H16O, its molecular weight is 116.20. The CAS registry number of this chemical is 624-22-6.
Other characteristics of the 1-Hexanol, 2-methyl- can be summarised as followings: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.12; (6)ACD/BCF (pH 7.4): 32.12; (7)ACD/KOC (pH 5.5): 417.07; (8)ACD/KOC (pH 7.4): 417.07; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 35.97 cm3; (15)Molar Volume: 141.9 cm3; (16)Polarizability: 14.26×10-24cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.818 g/cm3; (19)Flash Point: 61.8 °C; (20)Enthalpy of Vaporization: 46.34 kJ/mol; (21)Boiling Point: 161.3 °C at 760 mmHg; (22)Vapour Pressure: 0.792 mmHg at 25°C.
Production method of this chemical: The 1-Hexanol, 2-methyl- could be obtained by the reactants of prop-2-en-1-ol and butyllithium. This reaction needs the reagent of LiH, tetramethylenediamine, and the solvent of pentane.
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Uses of this chemical: The 1-Hexanol, 2-methyl- could react with toluene-4-sulfonyl chloride, and obtain the 1-methyl-4-(2-methyl-hexane-1-sulfonyl)-benzene. This reaction needs the reagent of pyridine. The yield is 88 %. In addition, this reaction should be taken at the temperature of 0 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: OCC(C)CCCC
2.InChI: InChI=1/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3
3.InChIKey: LCFKURIJYIJNRU-UHFFFAOYAY