Coniferaldehyde
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Grundinformationen
- CAS
20649-42-7- Standard-SMILES
COc1cc(/C=C/C=O)ccc1O- InChIKey
DKZBBWMURDFHNE-NSCUHMNNSA-N- Summenformel
- C10H10O3
- Durchschnittliche Molmasse
- 178,18 g/mol
- Monoisotopische Masse
- 178,06299418
Namen und Bezeichner
- Bevorzugter Name
- Coniferaldehyde
- IUPAC
- (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
- Englischer Name
- 4-Hydroxy-3-methoxycinnamaldehyde
- Summenformel
- C10H10O3
- Molmasse
- 178.18
Namen und Synonyme
ConiferaldehydeConiferyl aldehyde458-36-6trans-coniferyl aldehyde3-(4-Hydroxy-3-methoxyphenyl)prop-2-enalconiferylaldehyde(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enalCHEBI:16547DTXSID80750474-HM-CAconiferaldehyde, (E)-RefChem:918981
Weitere Namen anzeigen
trans-ConiferaldehydeConiferaldehyde USP/EP/BP(2E)-4-Hydroxy-3-methoxycinnamaldehydetrans-4-Hydroxy-3-methoxycinnamaldehyde2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)-
DTXCID2040448207-278-44-HYDROXY-3-METHOXYCINNAMALDEHYDE20649-42-7Ferulaldehyde3-(4-Hydroxy-3-methoxyphenyl)acrylaldehydeFerulyl aldehydetrans-Ferulaldehyde
Datenbank-Bezeichner
- CAS
20649-42-7、458-36-6- PubChem CID
- 5280536
- DTXSID
DTXSID10174685- ChEMBL
CHEMBL242529- ChEBI
CHEBI:16547- UNII
- 06TPT01AD5
- EC Number
- 207-278-4
- Nikkaji
- J196.170E、J330.750F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 189
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1672；1676；1679.7
1751.8；1741；1719.5
3038
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-82 °C(lit.)
- Siedepunkt
- 175 °C5 · 175 °C5 mm Hg(lit.)
- Dichte
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.65 · 9.65±0.31(Predicted)
- Farbe
- Light Brown to Brown
- Stabilität
- Light Sensitive
- LogP
- 1.652 · 1.652 (est)
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Anwendungen
Verwendentrans-Ferulaldehyde can be used for anti-inflammatory and anti-HIV properties.
Anbieter45 Anbieter
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
深圳菲斯生物科技有限公司
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