Melilotic acid
Grundinformationen
- CAS
495-78-3- Standard-SMILES
O=C(O)CCc1ccccc1O- InChIKey
CJBDUOMQLFKVQC-UHFFFAOYSA-N- Summenformel
- C9H10O3
- Durchschnittliche Molmasse
- 166,17 g/mol
- Monoisotopische Masse
- 166,06299418
Namen und Bezeichner
- Bevorzugter Name
- Melilotic acid
- IUPAC
- 3-(2-hydroxyphenyl)propanoic acid
- Englischer Name
- 3-(2-HYDROXYPHENYL)PROPIONIC ACID
- Summenformel
- C9H10O3
- Molmasse
- 166.17
Namen und Synonyme
3-(2-hydroxyphenyl)propanoic acid495-78-3Melilotic acid2-hydroxybenzenepropanoic acido-Hydroxyphenylpropionic acid3-(o-Hydroxyphenyl) propionic acidCN1RK42MADCHEBI:16104RefChem:25835628-707-53-(2-Hydroxyphenyl)propionic acidBenzenepropanoic acid, 2-hydroxy-
Weitere Namen anzeigen
3-(2-hydroxyphenyl)propanoateMelilotic3-(2-HydroxyphenyLEsmolol Impurity 23Esmolol Impurity 30
2-hydroxyhydrocinnamic acidhydrocoumaric acidMFCD00014026beta-(O-Hydroxyphenyl)propionic acidO-Hydroxyhydrocinnamic acid2-HYDROXY-BENZENEPROPANOIC ACIDPropanoic acid, 3-(2-hydroxyphenyl)-o-hydrocoumaric acid
Datenbank-Bezeichner
- CAS
495-78-3- PubChem CID
- 873
- DTXSID
DTXSID2075421- ChEBI
CHEBI:16104- UNII
- CN1RK42MAD
- EC Number
- 628-707-5
- Nikkaji
- J6.083F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Experimentelle und physikochemische Eigenschaften
Melting Point82 - 83 °C
Physical DescriptionSolid
Collision Cross Section133.6 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 · 86-89 °C(lit.)
- Siedepunkt
- 335.9 · 335.9±17.0 °C(Predicted)
- Dichte
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.75 · 4.75±0.10(Predicted)
- Farbe
- Pale Yellow
- BRN
- 1681601 · 1681601
- Stabilität
- Hygroscopic
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 44 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29182900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Anwendungen
Verwenden3-(2-Hydroxyphenyl)propionic acid is suitable as a growth substrate for various strains of E. coli and as a standard in the study of microbial metabolism of catechin stereoisomers.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter100 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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