Sinapaldehyde
Grundinformationen
- CAS
4206-58-0- Standard-SMILES
COc1cc(/C=C/C=O)cc(OC)c1O- InChIKey
CDICDSOGTRCHMG-ONEGZZNKSA-N- Summenformel
- C11H12O4
- Durchschnittliche Molmasse
- 208,21 g/mol
- Monoisotopische Masse
- 208,07355886
Überblick
(E)-sinapaldehyde is 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. It has a role as an antifungal agent and a plant metabolite. It is a member of cinnamaldehydes, a member of phenols and a dimethoxybenzene. It is functionally related to an (E)-cinnamaldehyde.
Namen und Bezeichner
- Bevorzugter Name
- Sinapaldehyde
- IUPAC
- (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
- Englischer Name
- SINAPINALDEHYDE
- Summenformel
- C11H12O4
- Molmasse
- 208.21
Namen und Synonyme
Sinapaldehyde4206-58-0trans-Sinapaldehyde2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal4VB87UV6WG2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-DTXSID10863340RefChem:886347DTXCID60909287Sinapinaldehyde
Weitere Namen anzeigen
C05610SINAPALEHYDE(E)-sinapinaldehyde
Sinapyl aldehydeSinapoyl aldehyde(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehydetrans-3,5-Dimethoxy-4-hydroxycinnamaldehydeSinapic aldehyde3,5-Dimethoxy-4-hydroxycinnamaldehyde(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enalTrans-3,5-Dimethoxy-4-Hydroxy Cinnamaldehyde
Datenbank-Bezeichner
- CAS
4206-58-0- PubChem CID
- 5280802
- DTXSID
DTXSID10863340- ChEMBL
CHEMBL225067- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 213
Experimentelle und physikochemische Eigenschaften
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Schmelzpunkt
- 104 · 104-106 °C(lit.)
- Siedepunkt
- 372.3 · 372.3±37.0 °C(Predicted)
- Dichte
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.67 · 9.67±0.36(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light Yellow to Yellow
- Henry's Law Constant
- 3.1 · 3.1×106 mol/(m3Pa) at 25℃, McFall et al. (2020)
- Stabilität
- 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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2912490090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Anwendungen
Verwendentrans-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.
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南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
南京译源生物科技有限公司18915107665 18061915908 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
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