The 3-Phenoxybenzaldehyde, with the CAS registry number 39515-51-0, is also known as m-Phenoxybenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C10 to C21; Carbonyl Compounds. Its EINECS registry number is 254-487-1. This chemical's molecular formula is C₁₃H₁₀O₂ and molecular weight is 198.22. Its IUPAC name is called 3-phenoxybenzaldehyde. This chemical's classification codes are Reproductive Effect; Skin / Eye Irritant. This chemical is clear yellow to amber liquid.

Physical properties of 3-Phenoxybenzaldehyde: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 218.81; (5)ACD/BCF (pH 7.4): 218.81; (6)ACD/KOC (pH 5.5): 1646.76; (7)ACD/KOC (pH 7.4): 1646.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 59.44 cm³; (12)Molar Volume: 171.6 cm³; (13)Surface Tension: 44.5 dyne/cm; (14)Density: 1.154 g/cm³; (15)Flash Point: 156.1 °C; (16)Enthalpy of Vaporization: 64.21 kJ/mol; (17)Boiling Point: 392.4 °C at 760 mmHg; (18)Vapour Pressure: 2.3E-06 mmHg at 25°C.

Preparation: this chemical can be prepared as following:

(1)Etherification: This reaction will need m-cresol and halogenated benzene as raw materials, then the intermediate is inter-phenoxy toluene (MPT).

(2)Chlorination:

(3)Hydrolysis:

(4)Refined: This reaction will obtain 3-Phenoxybenzaldehyde.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. Besides, this chemical that at very low level can cause damage to health. It is harmful if swallowed and is very toxic by inhalation. You must avoid contacting it with skin and eyes. In case of insufficient ventilation wear suitable respiratory equipment. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O
(2)InChI: InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H
(3)InChIKey: MRLGCTNJRREZHZ-UHFFFAOYSA-N

The toxicity data is as follows: