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CAS No.: | 10493-37-5 |
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Name: | 3-(2-METHOXY-PHENYL)-PROPAN-1-OL |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C10H14O2 |
Molecular Weight: | 166.22 |
Synonyms: | 1-Propanol, 3- (o-methoxyphenyl)-; |
Density: | 1.037 g/cm3 |
Boiling Point: | 271.2 °C at 760 mmHg |
Flash Point: | 113.4 °C |
PSA: | 29.46000 |
LogP: | 1.62010 |
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The Benzenepropanol,2-methoxy-, with the CAS registry number of 10493-37-5, is also known as 1-Propanol, 3- (o-methoxyphenyl)-. This chemical's molecular formula is C10H14O2 and molecular weight is 166.21696. What's more, its IUPAC name is 3-(2-Methoxyphenyl)propan-1-ol.
Physical properties about the Benzenepropanol,2-methoxy- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 48.64 cm3; (9)Molar Volume: 160.2 cm3; (10)Surface Tension: 37.6 dyne/cm; (11)Density: 1.037 g/cm3; (12)Flash Point: 113.4 °C; (13)Enthalpy of Vaporization: 53.81 kJ/mol; (14)Boiling Point: 271.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00321 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of 1-(3-Bromo-propoxy)-2-methoxy-benzene with 1-Methoxy-2-propoxy-benzene. The reaction needs reagents Bu3SnH, AIBN and solvent Benzene. The reaction time is 1 h. The yield is about 53 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccccc1CCCO)C
(2) InChI: InChI=1/C10H14O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7,11H,4,6,8H2,1H3
(3) InChIKey: KCJSIKPCRQDRNX-UHFFFAOYAG