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CAS No.: | 4249-43-8 |
---|---|
Name: | 1-phenyl-2-propoxy-ethanol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H16O2 |
Molecular Weight: | 180.2435 |
Synonyms: | Benzylalcohol,α-(propoxymethyl)- (7CI,8CI);NSC 57404; |
Density: | 1.021 g/cm3 |
Boiling Point: | 279.3 °C at 760 mmHg |
Flash Point: | 113 °C |
PSA: | 29.46000 |
LogP: | 2.14660 |
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The Benzenemethanol, α-(propoxymethyl)-, with the CAS registry number 4249-43-8, is also known as Benzylalcohol, a-(propoxymethyl)- (7CI, 8CI). This chemical's molecular formula is C11H16O2 and molecular weight is 180.243540. What's more, its IUPAC name is 1-Phenyl-2-propoxyethanol.
Physical properties about Benzenemethanol, α-(propoxymethyl)- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 52.98 cm3; (9)Molar Volume: 176.3 cm3; (10)Polarizability: 21×10-24 cm3; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.021 g/cm3; (13)Flash Point: 113 °C; (14)Enthalpy of Vaporization: 54.71 kJ/mol; (15)Boiling Point: 279.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00194 mmHg at 25 °C.
Preparation of Benzenemethanol, α-(propoxymethyl)-: this chemical is prepared by reaction of Phenyl-oxirane with Propan-1-ol. This reaction need catalyst H3PW12O40. The reaction temperature is 45 °C and the yield is about 93 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)COCCC
(2) InChI: InChI=1/C11H16O2/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
(3) InChIKey: MOIIMLOKLBXYSV-UHFFFAOYAE