Grundinformationen
- CAS
588-30-7- Standard-SMILES
O=C(O)C=Cc1cccc(O)c1- InChIKey
KKSDGJDHHZEWEP-UHFFFAOYSA-N- Summenformel
- C9H8O3
- Durchschnittliche Molmasse
- 164,16 g/mol
- Monoisotopische Masse
- 164,04734411
Namen und Bezeichner
- Bevorzugter Name
- 3-(3-Hydroxyphenyl)-2-propenoic acid
- IUPAC
- 3-(3-hydroxyphenyl)prop-2-enoic acid
- Lokaler Name
- 3-Hydroxyzimtsure
- Englischer Name
- 3-Hydroxycinnamic acid
- Summenformel
- C9H8O3
- Molmasse
- 164.16
Namen und Synonyme
3-(3-hydroxyphenyl)-2-propenoic acidRefChem:10667073-(3-hydroxyphenyl)prop-2-enoic acid3-Hydroxycinnamic acid (cis/trans mixture)bmse000093Cinnamic acid, 3-hydroxy-trans-3-Hydroxycinnamic acid, 99%LS-13594HY-113357Q6712039COUMARIC ACID,3-3-Hydroxyphenylacrylic acid
Weitere Namen anzeigen
M-COUMARIC ACIDtrans-3-HydroxycinnamateC126213-coumaricaciTRANS-M-CUMARIC ACID
AKOS BAR-2480SCHEMBL448904RARECHEM BK HC T323orb1307038DTXSID00891551AKOS B004108(2E)-3-(3-hydroxyphenyl)prop-3-(3-Hydroxy-phenyl)-acrylic acid
Datenbank-Bezeichner
- CAS
588-30-7- PubChem CID
- 11496
- DTXSID
DTXSID00891551
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 186
Physikochemische Eigenschaften
- Schmelzpunkt
- 193 · 193-195 °C(lit.)
- storage temp.
- Amber Vial, Refrigerator
- Löslichkeit
- Acetonitrile (Slightly) DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 1 · pK1:4.4 (25°C)
- Farbe
- White to Off-White
- Stabilität
- Light Sensitive
- Major Application
- food and beverages
- InChI
- 1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
- InChIKey
- KKSDGJDHHZEWEP-SNAWJCMRSA-N
- SMILES
- Oc1cc(ccc1)\C=C\C(=O)O
- LogP
- 0.928 · 0.928 (est)
- CAS Datenbank
- 588 · 588-30-7(CAS DataBase Reference)
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 42 reports by companies from 4 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 Information3-Coumaric acid: 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 Information3-Coumaric acid: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
Chemie und Industrie
Anbieter62 Anbieter
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