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4206-58-0

4206-58-0 Structure

4206-58-0 Structure
IdentificationBack Directory
[Name]

SINAPINALDEHYDE
[CAS]

4206-58-0
[Synonyms]

C05610
SINAPALEHYDE
SINAPALDEHYDE
SINAPINALDEHYDE
Sinapyl aldehyde
Sinapic aldehyde
Sinapoyl aldehyde
trans-Sinapaldehyde
(E)-sinapinaldehyde
(E)-Sinapyl aldehyde
-3-(4-Hydroxy-3,5-dimethoxyphenyl)
3,5 DIMETHOXY-4-HYDROXYCINNAMALDEHYDE
TRANS-3 5-DIMETHOXY-4-HYDROXY- &
TRANS-3,5-DIMETHOXY-4-HYDROXYCINNAMALDEHYDE
(E)-3-(3,5-Dimethoxy-4-hydroxyphenyl)propenal
(E)-3,5-Dimethoxy-4-hydroxyphenylpropenaldehyde
trans-3,5-DiMethoxy-4-hydroxycinnaMaldehyde 98%
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde,98%
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
(E)-3-(3,5-Dimethoxy-4-hydroxyphenyl)acrylaldehyde
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-
(E)-3-(3,5-Dimethoxy-4-hydroxyphenyl)-2-propene-1-one
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde,Sinapinaldehyde
[Molecular Formula]

C11H12O4
[MDL Number]

MFCD00075980
[MOL File]

4206-58-0.mol
[Molecular Weight]

208.21
Chemical PropertiesBack Directory
[Melting point ]

104-106 °C(lit.)
[Boiling point ]

372.3±37.0 °C(Predicted)
[density ]

1.195±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.67±0.36(Predicted)
[color ]

Light Yellow to Yellow
[Stability:]

Air Sensitive, Light Sensitive
[InChI]

1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
[InChIKey]

CDICDSOGTRCHMG-ONEGZZNKSA-N
[SMILES]

[H]C(=O)\C([H])=C(/[H])c1cc(OC)c(O)c(OC)c1
[LogP]

1.686 (est)
[EPA Substance Registry System]

2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)- (4206-58-0)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2912490090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde (Sinapinaldehyde) is suitable for use in the determination of phenolic compounds by HPLC with multiple wavelength detector in grape marc distillates aged in Quercus petraea, Quercus robur and Quercus alba wooden barrels. It is suitable for use in the GC/MS positive ion chemical ionization (PICI) characterization of volatile phenols and benzene aldehydes in various woods.
[Definition]

ChEBI: A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

SINAPINALDEHYDE(4206-58-0)1HNMR
SINAPINALDEHYDE(4206-58-0)IR
SINAPINALDEHYDE(4206-58-0)Raman
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