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| CAS No.: | 2426-87-1 |
|---|---|
| Name: | 4-BENZYLOXY-3-METHOXYBENZALDEHYDE |
| Article Data: | 213 |
| Molecular Structure: | |
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| Formula: | C15H14O3 |
| Molecular Weight: | 242.274 |
| Synonyms: | Benzaldehyde,4-(benzyloxy)-3-methoxy- (6CI,7CI,8CI);3-Methoxy-4-(benzyloxy)benzaldehyde;3-Methoxy-4-(phenylmethoxy)benzaldehyde;4-O-Benzylvanillin;Benzylvanillin;NSC 22599;NSC 44876;O-Benzylvanillin;Vanillin benzyl ether; |
| EINECS: | 219-379-0 |
| Density: | 1.154 g/cm3 |
| Melting Point: | 62-64 °C(lit.) |
| Boiling Point: | 393.1 °C at 760 mmHg |
| Flash Point: | 183.1 °C |
| Appearance: | Yellow crystalline powder or crystalline chunks |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 35.53000 |
| LogP: | 3.08670 |
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Specification
The 4-Benzloxy-3-methoxybenzaldehyde, with CAS registry number 2426-87-1, belongs to the following product categories: (1)Aromatic Aldehydes & Derivatives (substituted); (2)Organic Building Blocks. It has the systematic name of 4-(benzyloxy)-3-methoxybenzaldehyde. This chemical is a kind of yellow crystalline powder or crystalline chunks. What's more, its EINECS is 219-379-0.
Physical properties of 4-Benzloxy-3-methoxybenzaldehyde: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 179.15; (6)ACD/BCF (pH 7.4): 179.15; (7)ACD/KOC (pH 5.5): 1427.13; (8)ACD/KOC (pH 7.4): 1427.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 70.85 cm3; (15)Molar Volume: 209.8 cm3; (16)Polarizability: 28.08×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Enthalpy of Vaporization: 64.3 kJ/mol; (19)Vapour Pressure: 2.17E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-hydroxy-3-methoxy-benzaldehyde and chloromethyl-benzene. This reaction will need reagent KOH. The yield is about 90%.
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Uses of 4-Benzloxy-3-methoxybenzaldehyde: it can be used to produce 4-benzyloxy-3-methoxybenzonitrile. This reaction will need reagents hydroxylamine hydrochloride, triethylamine and solvent acetonitrile. The reaction time is 7 hour(s). The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
The 4-Benzloxy-3-methoxybenzaldehyde irritates to eyes, respiratory system and skin. When use it, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(OC)c(OCc1ccccc1)cc2
(2)InChI: InChI=1/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
(3)InChIKey: JSHLOPGSDZTEGQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
(5)Std. InChIKey: JSHLOPGSDZTEGQ-UHFFFAOYSA-N