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5780-07-4

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5780-07-4 Structure

5780-07-4 Structure
IdentificationMore
[Name]

MYRISTICIN ALDEHYDE
[CAS]

5780-07-4
[Synonyms]

3-METHOXY-4,5-METHYLENEDIOXYBENZALDEHYDE
3-METHOXYPIPERONAL
5-METHOXYPIPERONAL
MYRISTICIN ALDEHYDE
1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
7-Methoxy-1,3-benzodioxole-5-carbaldehyde
7-methoxy-3-benzodioxole-5-carboxaldehyde
7-methoxy-1,3-benzodioxole-5-carboxaldehyde
3,4-(Methylenedioxy)-5-methoxybenzaldehyde
5-Methoxy-3,4-(methylenedioxy)benzaldehyde
5-Methoxypiperonal , (Myristicin Aldehyde)
[EINECS(EC#)]

227-304-8
[Molecular Formula]

C9H8O4
[MDL Number]

MFCD00016900
[Molecular Weight]

180.16
[MOL File]

5780-07-4.mol
Chemical PropertiesBack Directory
[Melting point ]

130-132°C
[Boiling point ]

110-115 °C(Press: 0.5 Torr)
[density ]

1.321±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[Appearance]

Off-white to yellow Solid
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Air Sensitive
[BRN ]

384077
[InChI]

1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3
[InChIKey]

LOFRBHZYZCIOJO-UHFFFAOYSA-N
[SMILES]

COc1cc(C=O)cc2OCOc12
[LogP]

1.310 (est)
[CAS DataBase Reference]

5780-07-4(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- (5780-07-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

WGK 3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Hazard InformationBack Directory
[Uses]

5-Methoxypiperonal is used in the synthesis of oxazole combretastatin A-4 analogs showing anti-tumor activity. It is also used in the synthesis of endothelin-A antagonist ABT-546, and further in the synthesis of antidepressant rolipram.
Spectrum DetailBack Directory
[Spectrum Detail]

MYRISTICIN ALDEHYDE(5780-07-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Methoxypiperonal, 97%(5780-07-4)
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