BENZYLOXYACETALDEHYDE

The Acetaldehyde,2-(phenylmethoxy)-, with CAS registry number 60656-87-3, belongs to the following product categories: (1)Aromatics Compounds; (2)Aromatics; (3)Aldehydes; (4)C9; (5)Carbonyl Compounds. It has the systematic name of (benzyloxy)acetaldehyde. This chemical is a kind of pale yellow oil. And it should be stored at the refrigerator. What's more, its EINECS is 262-349-7.

Physical properties of Acetaldehyde,2-(phenylmethoxy)-: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.08; (6)ACD/BCF (pH 7.4): 9.08; (7)ACD/KOC (pH 5.5): 168.79; (8)ACD/KOC (pH 7.4): 168.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 42.36 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 16.79×10^-24cm³; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.054 g/cm³; (19)Flash Point: 80.2 °C; (20)Enthalpy of Vaporization: 44.87 kJ/mol; (21)Boiling Point: 212.4 °C at 760 mmHg; (22)Vapour Pressure: 0.174 mmHg at 25°C.

Preparation: this chemical can be prepared by allyl-benzyl ether. This reaction will need reagent O₃.

When you are using this chemical, please be cautious about it as the following:
The Acetaldehyde,2-(phenylmethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCOCc1ccccc1
(2)InChI: InChI=1/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
(3)InChIKey: NFNOAHXEQXMCGT-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
(5)Std. InChIKey: NFNOAHXEQXMCGT-UHFFFAOYSA-N