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Name |
4-Ethoxy-3-methoxybenzaldehyde |
EINECS | 204-382-1 |
CAS No. | 120-25-2 | Density | 1.088 g/cm3 |
PSA | 35.53000 | LogP | 1.90640 |
Solubility | slightly soluble in water | Melting Point |
50-53 °C(lit.) |
Formula | C10H12O3 | Boiling Point | 289.424 °C at 760 mmHg |
Molecular Weight | 180.203 | Flash Point | 119.638 °C |
Transport Information | N/A | Appearance | yellow fine crystalline powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methoxy-4-ethoxybenzaldehyde;4-Ethoxy-m-anisaldehyde;NSC 16945;NSC 62097;Vanillin ethyl ether;4-ethoxy-3-methoxybenzaldehyde;benzaldehyde, 4-ethoxy-3-methoxy-;4-Ethoxy-m-anisaldehyde; |
Article Data | 52 |
The 4-Ethoxy-3-methoxybenzaldehyde, with the CAS registry number 120-25-2 and EINECS registry number 204-382-1, has the systematic name of 4-ethoxy-3-methoxybenzaldehyde. It belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates. And the molecular formula of the chemical is C10H12O3. What's more, while dealing with this chemical, you should try to avoid contacting with skin and eyes.
The characteristics of 4-Ethoxy-3-methoxybenzaldehyde are as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 25.06; (6)ACD/BCF (pH 7.4): 25.06; (7)ACD/KOC (pH 5.5): 349.14; (8)ACD/KOC (pH 7.4): 349.14; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 50.99 cm3; (15)Molar Volume: 165.6 cm3; (16)Polarizability: 20.21×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.088 g/cm3; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 52.87 kJ/mol; (21)Boiling Point: 289.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0022 mmHg at 25°C.
Uses of 4-Ethoxy-3-methoxybenzaldehyde: It can react with 8-acetyl-7-hydroxy-4-methyl-chromen-2-one to produce 8-[3-(4-ethoxy-3-methoxy-phenyl)-acryloyl]-7-hydroxy-4-methyl-chromen-2-one. This reaction will need reagent KOH (40%), and the menstruum methanol. And the yield is about 77%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(OC)c(OCC)cc1
(2)InChI: InChI=1/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3
(3)InChIKey: BERFDQAMXIBOHM-UHFFFAOYAQ