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22539-93-1

Basic Information
CAS No.: 22539-93-1
Name: BENZYLOXYACETONE
Article Data: 20
Molecular Structure:
Molecular Structure of 22539-93-1 (BENZYLOXYACETONE)
Formula: C10H12O2
Molecular Weight: 164.204
Synonyms: 1-Benzyloxy-2-propanone;2-Propanone,(benzyloxy)- (6CI);(Benzyloxy)acetone;2-Propanone, 1-(benzyloxy)- (8CI);
Density: 1.034 g/cm3
Boiling Point: 268.4 °C at 760 mmHg
Flash Point: 116 °C
Appearance: Liquid
PSA: 26.30000
LogP: 1.79220
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Specification

The 2-Propanone,1-(phenylmethoxy)-, with the CAS registry number 22539-93-1, is also known as Benzyloxyacetone. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2. What's more, its systematic name is 1-(Benzyloxy)propan-2-one. It is stable at common pressure and temperature, and it should be sealed and stored in a container. What's more, it should be protected from strong oxidizers.

Physical properties of 2-Propanone,1-(phenylmethoxy)- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.501; (8)Molar Refractivity: 46.84 cm3; (9)Molar Volume: 158.7 cm3; (10)Polarizability: 18.56×10-24 cm3; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 1.034 g/cm3; (13)Flash Point: 116 °C; (14)Enthalpy of Vaporization: 50.65 kJ/mol; (15)Boiling Point: 268.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0077 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(COCc1ccccc1)C
(2)InChI: InChI=1/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
(3)InChIKey: YHMRKVGUSQWDGZ-UHFFFAOYAQ