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CAS No.: | 818-81-5 |
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Name: | 2-METHYL-1-OCTANOL |
Article Data: | 55 |
Molecular Structure: | |
Formula: | C9H20O |
Molecular Weight: | 144.257 |
Synonyms: | 1-Hydroxy-2-methyloctane;2-Methyl-1-octanol;2-Methyloctanol; |
EINECS: | 212-457-5 |
Density: | 0.824 g/cm3 |
Melting Point: | 6.15°C (estimate) |
Boiling Point: | 196.6 ºC at 760 mmHg |
Flash Point: | 79.5 ºC |
PSA: | 20.23000 |
LogP: | 2.58520 |
The 1-Octanol, 2-methyl-, with the CAS registry number 818-81-5, is also known as 2-Methyl-1-octanol. Its EINECS registry number is 212-457-5. This chemical's molecular formula is C9H20O and molecular weight is 144.25. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyloctan-1-ol.
Physical properties about 1-Octanol, 2-methyl- are: (1) ACD/LogP: 3.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.35; (4) ACD/LogD (pH 7.4): 3.35; (5) ACD/BCF (pH 5.5): 206.29; (6) ACD/BCF (pH 7.4): 206.29; (7) ACD/KOC (pH 5.5): 1578.75; (8) ACD/KOC (pH 7.4): 1578.75; (9)#H bond acceptors: 1; (10) #H bond donors: 1 ; (11)#Freely Rotating Bonds: 7; (12) Polar Surface Area: 9.23 ?2 ; (13)Index of Refraction: 1.43; (14) Molar Refractivity: 45.23 cm3; (15) Molar Volume: 174.9 cm3; (16) Surface Tension: 28.5 dyne/cm; (17) Density: 0.824 g/cm3; (18) Flash Point: 79.5 °C; (19) Enthalpy of Vaporization: 50.36 kJ/mol; (20) Boiling Point: 196.6 °C at 760 mmHg; (21) Vapour Pressure: 0.102 mmHg at 25 °C.
Preparation of 1-Octanol, 2-methyl-: this chemical can be prepared by Methanol with Octan-1-ol.
The reaction occurs with reagent Sodium at temperature of 200 °C for 6 hours. The yield is 70 %.
Uses of 1-Octanol, 2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-octanal.
This reaction needs reagent PCC and solvent CH2Cl2 at ambient temperature. The reaction time is 2 hours. The yield is 83 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CCCCCC)C
(2) InChI: InChI=1/C9H20O/c1-3-4-5-6-7-9(2)8-10/h9-10H,3-8H2,1-2H3
(3) InChIKey: IGVGCQGTEINVOH-UHFFFAOYAA