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5-Methoxy-1-pentanol CAS NO.4799-62-6
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Keywords
- 5-Methoxy-1-pentanol
- pentanol
- Methoxy
Quick Details
- ProName: 5-Methoxy-1-pentanol
- CasNo: 4799-62-6
- Molecular Formula: C6H14O2
- Application: 5-Methoxy-1-pentanol
- ProductionCapacity: Metric Ton/Day
- Purity: 98.9
- LimitNum: 0 Metric Ton
Superiority
The 5-Methoxy-1-pentanol, with the CAS registry number 4799-62-6, is also known as 5-Methoxypentan-1-ol. This chemical's molecular formula is C6H14O2 and molecular weight is 118.17. What's more, its systematic name is 5-Methoxy-1-pentanol.
Physical properties of 5-Methoxy-1-pentanol are: (1)ACD/LogP: 0.153; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.86; (8)ACD/KOC (pH 7.4): 28.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 33.126 cm3; (15)Molar Volume: 131.444 cm3; (16)Polarizability: 13.132×10-24cm3; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 0.899 g/cm3; (19)Flash Point: 56.393 °C; (20)Enthalpy of Vaporization: 48.49 kJ/mol; (21)Boiling Point: 180.288 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-methoxy-valeric acid methyl ester by heating. This reaction will need reagent LiAlH4 and solvent diethyl ether with the reaction time of 1 hour. The yield is about 73%.
Uses of 5-Methoxy-1-pentanol: it can be used to produce 5-methoxy-valeric acid at the ambient temperature. It will need reagents Na2Cr2O7, H2SO4 and solvent acetone with the reaction time of 3 hours. The yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCOC
(2)Std. InChI: InChI=1S/C6H14O2/c1-8-6-4-2-3-5-7/h7H,2-6H2,1H3
(3)Std. InChIKey: OMNKOGMRWWOOFR-UHFFFAOYSA-N
Details
The 5-Methoxy-1-pentanol, with the CAS registry number 4799-62-6, is also known as 5-Methoxypentan-1-ol. This chemical's molecular formula is C6H14O2 and molecular weight is 118.17. What's more, its systematic name is 5-Methoxy-1-pentanol.
Physical properties of 5-Methoxy-1-pentanol are: (1)ACD/LogP: 0.153; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.86; (8)ACD/KOC (pH 7.4): 28.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 33.126 cm3; (15)Molar Volume: 131.444 cm3; (16)Polarizability: 13.132×10-24cm3; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 0.899 g/cm3; (19)Flash Point: 56.393 °C; (20)Enthalpy of Vaporization: 48.49 kJ/mol; (21)Boiling Point: 180.288 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-methoxy-valeric acid methyl ester by heating. This reaction will need reagent LiAlH4 and solvent diethyl ether with the reaction time of 1 hour. The yield is about 73%.
Uses of 5-Methoxy-1-pentanol: it can be used to produce 5-methoxy-valeric acid at the ambient temperature. It will need reagents Na2Cr2O7, H2SO4 and solvent acetone with the reaction time of 3 hours. The yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCOC
(2)Std. InChI: InChI=1S/C6H14O2/c1-8-6-4-2-3-5-7/h7H,2-6H2,1H3
(3)Std. InChIKey: OMNKOGMRWWOOFR-UHFFFAOYSA-N