4-(DIETHOXYMETHYL)BENZALDEHYDE
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4-(DIETHOXYMETHYL)BENZALDEHYDE
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CAS No:
81172-89-6
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Formula:
C12H16O3
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Chemical Name:
4-(DIETHOXYMETHYL)BENZALDEHYDE
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Synonyms:
Terephthaldehyde Mono;4-(DIETHOXYMETHYL)BENZALDEHYDE;Benzaldehyde, 4-(diethoxymethyl)-;TEREPHTHALALDEHYDE DIETHYL ACETAL;4-(Diethoxymethyl)benzaldehyde 98%;TerephthaldehydeMonoDiethylacetal97%;TEREPHTHALDEHYDE MONO(DIETHYL ACETAL);Terephthaldialdehyd monodiethylacetal;TEREPHTHALDIALDEHYDE MONODIETHYLACETAL;TEREPHTHALALDEHYDE MONO(DIETHYL ACETAL)
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CAS No:
Characteristics
35.5
1.8
1.047 g/mL at 25 °C(lit.)
290.3°C at 760 mmHg
>230 °F
n20/D 1.506(lit.)
soluble in alcohol, chlorinated solvents and toluene. Decomposes in water.
Safety Information
NONH for all modes of transport
3
R36/37/38
S37/39-S26
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(DIETHOXYMETHYL)BENZALDEHYDE Use and Manufacturing
A mixture of terephthalaldehyde (10 g, 74.55 mmol), ammonium chloride (160 mg, 3.0 mmol) in ethanol (10.3 g, 223.6 mmol) was added dropwise triethoxymethane (12.15 g, 82 mmol) at 0° C. After the addition, the mixture was stirred at room temperature overnight. The mixture was concentrated, the residue was purified by silica gel chromatography to give the title compound (7.0 g, yield 50percent) as a white solid. LC-MS (ESI) m/z: 209 (M+1)Example 125 A4-(Diethoxymethyl)benzaldehyde[00764] A mixture of terephthalaldehyde (10 g, 74.55 mmol), ammonium chloride (160 mg, 3.0 mmol) in ethanol (10.3 g, 223.6 mmol) was added dropwise triethoxymethane (12.15 g, 82 mmol) at 0 °C. After the addition, the mixture was stirred at room temperature overnight. The mixture was concentrated, the residue was purified by silica gel chromatography to give the title compound (7.0 g, yield 50percent) as a white solid. LC-MS (ESI) m/z: 209 (M+l)
Computed Properties
Molecular Weight:208.25
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:35.5
Heavy Atom Count:15
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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