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1-Benzyloxy-2-propanol

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Name

1-Benzyloxy-2-propanol

EINECS N/A
CAS No. 13807-91-5 Density 1.042 g/cm3
PSA 29.46000 LogP 1.58400
Solubility N/A Melting Point N/A
Formula C10H14O2 Boiling Point 263.848 °C at 760 mmHg
Molecular Weight 166.22 Flash Point 108.229 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13807-91-5 (1-BENZYLOXY-2-PROPANOL) Hazard Symbols N/A
Synonyms

2-Propanol,1-(benzyloxy)- (8CI);3-(Benzyloxy)-2-propanol;NSC165612;

Article Data 49

1-Benzyloxy-2-propanol Specification

The 1-Benzyloxy-2-propanol, with the CAS registry number 13807-91-5, is also known as 2-Propanol,1-(benzyloxy)- (8CI). This chemical's molecular formula is C10H14O2 and molecular weight is 166.22. What's more, its systematic name is -(Benzyloxy)-2-propanol. 

Physical properties of 1-Benzyloxy-2-propanol are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.58; (6)ACD/BCF (pH 7.4): 7.58; (7)ACD/KOC (pH 5.5): 148.28; (8)ACD/KOC (pH 7.4): 148.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 48.307 cm3; (15)Molar Volume: 159.509 cm3; (16)Polarizability: 19.15×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 108.229 °C; (20)Enthalpy of Vaporization: 53.003 kJ/mol; (21)Boiling Point: 263.848 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

Preparation: this chemical can be prepared by benzyloxymethyl-oxirane by heating. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran with the reaction time of 6 hours. The yield is about 70%.

1-Benzyloxy-2-propanol can be prepared by benzyloxymethyl-oxirane by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(O)C)Cc1ccccc1
(2)Std. InChI: InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
(3)Std. InChIKey: KJBPYIUAQLPHJG-UHFFFAOYSA-N

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