CAS No.13807-91-5,1-BENZYLOXY-2-PROPANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13807-91-5
Name:	1-BENZYLOXY-2-PROPANOL
Article Data:	49

Formula:	C₁₀H₁₄O₂
Molecular Weight:	166.22
Synonyms:	2-Propanol,1-(benzyloxy)- (8CI);3-(Benzyloxy)-2-propanol;NSC165612;
Density:	1.042 g/cm³
Boiling Point:	263.848 °C at 760 mmHg
Flash Point:	108.229 °C
PSA:	29.46000
LogP:	1.58400

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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