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Benzaldehyde,3-(phenylmethoxy)- (1700-37-4)

Identification
Name:Benzaldehyde,3-(phenylmethoxy)-
Synonyms:Benzaldehyde,m-(benzyloxy)- (6CI,7CI,8CI);3-(Phenylmethoxy)benzaldehyde;3-[(Phenylmethyl)oxy]benzaldehyde;NSC 17152;m-Benzyloxybenzaldehyde;
CAS:1700-37-4
EINECS: 216-932-8
Molecular Formula: C14H12O2
Molecular Weight: 212.24
InChI: InChI=1/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
Molecular Structure: (C14H12O2) Benzaldehyde,m-(benzyloxy)- (6CI,7CI,8CI);3-(Phenylmethoxy)benzaldehyde;3-[(Phenylmethyl)oxy]benzald...
Properties
Flash Point: 164.9°C
Boiling Point: 180°C 0,08mm
Density:1.142g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:1.607
Appearance:Off-white to tan chunks.
Specification:

The 3-Benzyloxybenzaldehyde, with the cas registry number 1700-37-4, has the systematic name of 3-(benzyloxy)benzaldehyde. The molecular formula of the chemical is C14H12O2. It is a kind of white to light beige fine air sensitive crystalline powder, and belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted); Aldehydes;C10 to C21; Carbonyl Compounds. 

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 189.98; (6)ACD/BCF (pH 7.4): 189.98; (7)ACD/KOC (pH 5.5): 1488.38; (8)ACD/KOC (pH 7.4): 1488.38; (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: 1.607; (14)Molar Refractivity: 64.17 cm3; (15)Molar Volume: 185.8 cm3; (16)Polarizability: 25.43×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 164.9 °C; (20)Enthalpy of Vaporization: 60.4 kJ/mol; (21)Boiling Point: 358.5 °C at 760 mmHg; (22)Vapour Pressure: 2.54E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2cc(OCc1ccccc1)ccc2
(2)InChI: InChI=1/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
(3)InChIKey: JAICGBJIBWDEIZ-UHFFFAOYAD

Flash Point: 164.9°C
Storage Temperature: Store in a cool, dry place. Keep container closed when not in use.
Sensitive: Air Sensitive
Safety Data