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CAS No.: | 5406-18-8 |
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Name: | 3-(4-METHOXYPHENYL)-1-PROPANOL |
Article Data: | 90 |
Molecular Structure: | |
Formula: | C10H14O2 |
Molecular Weight: | 166.22 |
Synonyms: | 4-Methoxybenzenepropanol;p-Methoxyphenylpropanol; |
EINECS: | 226-463-0 |
Density: | 1.037 g/cm3 |
Melting Point: | 26 °C |
Boiling Point: | 283.9 °C at 760 mmHg |
Flash Point: | 122.3 °C |
PSA: | 29.46000 |
LogP: | 1.62010 |
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The Benzenepropanol,4-methoxy-, with the CAS registry number 5406-18-8, is also known as 4-Methoxybenzenepropanol and p-Methoxyphenylpropanol. It belongs to the product categories of Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 226-463-0. This chemical's molecular formula is C10H14O2 and molecular weight is 166.217. What's more, both its IUPAC name and systematic name are the same which is called 3-(4-Methoxyphenyl)propan-1-ol.
Physical properties about this chemical are: (1)ACD/LogP: 1.79; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.61; (6)ACD/BCF (pH 7.4): 13.61; (7)ACD/KOC (pH 5.5): 225.5; (8)ACD/KOC (pH 7.4): 225.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 48.64 cm3; (15)Molar Volume: 160.2 cm3; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.037 g/cm3; (18)Flash Point: 122.3 °C; (19)Enthalpy of Vaporization: 55.22 kJ/mol; (20)Boiling Point: 283.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00145 mmHg at 25 °C; (22)Melting Point: 26 °C.
Preparation of Benzenepropanol,4-methoxy-: this chemical can be prepared by 3-(4-Methoxy-phenyl)-propionic acid.
This reaction needs reagent Lithium aluminum hydride and solvent Diethyl ether at temperature of 25 °C. The reaction time is 5 hours. The yield is 97.5%.
Uses of Benzenepropanol,4-methoxy-: it is used to produce other chemicals. For example, it is used to produce 4-(3-Bromo-propyl)-anisole.
The reaction occurs with reagents CBr4, Ph3P and solvent CH2Cl2 at temperature of 0 °C. The reaction time is 24 hours.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)CCCO)C
(2) InChI: InChI=1/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
(3) InChIKey: NIIDHUCLROLCBU-UHFFFAOYAI