Grundinformationen
- CAS
1504-74-1- Standard-SMILES
COc1ccccc1C=CC=O- InChIKey
KKVZAVRSVHUSPL-UHFFFAOYSA-N- Summenformel
- C10H10O2
- Durchschnittliche Molmasse
- 162,18 g/mol
- Monoisotopische Masse
- 162,06807956
Überblick
(E)-O-methoxycinnamaldehyde has been reported in Illicium verum, Cinnamomum verum, and Cinnamomum burmanni with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Propenal, 3-(2-methoxyphenyl)-
- IUPAC
- 3-(2-methoxyphenyl)prop-2-enal
- Lokaler Name
- 2'-Methoxycinnamaldehyd
- Englischer Name
- 2'-Methoxycinnamaldehyde
- Summenformel
- C10H10O2
- Molmasse
- 162.19
Namen und Synonyme
2-Propenal, 3-(2-methoxyphenyl)-RefChem:10644381504-74-12'-Methoxycinnamaldehyde3-(2-Methoxyphenyl)acrylaldehyde3-(2-methoxyphenyl)prop-2-enalDTXSID2025551o-Methoxy cinnamaldehydeO-Methoxyphenyl acrolein, beta-(E)-O-methoxycinnamaldehyde3-(2-Methoxyphenyl)-(2E)-2-propenal2-Methoxycimnamaldehyde
Weitere Namen anzeigen
2-METHOXYCINNAMALDEHYDEO-METHOXYCINNAMALDEHYDEO-METHOXY CINNAMIC ALDEHYDEFEMA 3181(E)-2-MethoxycinnamaldehydeAKOS BBS-00003213o-MethoxycinnamaL3-(o-Anisyl)propenal2-MethoxyciamaldehydeO-Ethoxycinnamaldehyde
SCHEMBL43264orb1220339orb1299808SCHEMBL2118831SCHEMBL29393422KKVZAVRSVHUSPL-UHFFFAOYSA-N3-(2-Methoxyphenyl);acrylaldehydeKCA12524
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 163
Experimentelle und physikochemische Eigenschaften
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Schmelzpunkt
- 44 · 44-48 °C(lit.)
- Siedepunkt
- 160 · 160-161 °C12 mm Hg(lit.)
- Dichte
- 1.0281 · 1.0281 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- FEMA
- 3181 · 3181 | O-METHOXYCINNAMALDEHYDE
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Sparingly)
- Aggregatzustand
- Solid
- Farbe
- Yellow
- Geruch (Odor)
- 100 % · at 100.00 %. sweet cinnamon cassia oily woody paper
- Geruchsart
- spicy
- Biologische Quelle
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
This chemical does not meet GHS hazard criteria for 87.1% (263 of 302) of all reports.
Warning
H315 (12.9%): 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 302 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propenal, 3-(2-methoxyphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(2-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (12.9%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29124990
- RTECS-Nr.
- GD6590000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Methoxycinnamal in the following categories is provided:
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Propenal, 3-(2-methoxyphenyl)-: ACTIVE
Anwendungen
Beschreibungo-Methoxycinnamaldehyde has a sweet, warm, spicy-floral odor with fruity undertones. It has a sweet, spicy, warm flavor, somewhat pungent above 200 - 300 ppm. It is formed after a long contact period between salicylaldehyde and acetaldehyde in diluted alkaline solution; it can be formed by condensation of salicylaldehyde methylether with acetaldehyde under alkaline conditions; from the corresponding oxime.
OccurrenceReported found in cinnamon oil (Cinnamomum cassia Nees ex Bl.) from which it is separated as stearoptene; in cinnamon bark and leaf.
Darstellung
synthetischeIt is formed after a long contact period between salicylaldehyde and acetaldehyde in diluted alkaline solution; it may also be formed by condensation of salicylaldehyde methylether with acetaldehyde under alkaline conditions; from the corresponding oxime. It may be isolated and purified from powdered cinnamon.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…