(+)-O-Acetyl-L-mandelic Acid
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Grundinformationen
- CAS
7322-88-5- Standard-SMILES
CC(=O)O[C@H](C(=O)O)c1ccccc1- InChIKey
OBCUSTCTKLTMBX-VIFPVBQESA-N- Summenformel
- C10H10O4
- Durchschnittliche Molmasse
- 194,18 g/mol
- Monoisotopische Masse
- 194,0579088
Namen und Bezeichner
- Bevorzugter Name
- (+)-O-Acetyl-L-mandelic Acid
- IUPAC
- (2S)-2-acetyloxy-2-phenylacetic acid
- Englischer Name
- (S)-(+)-O-Acetyl-L-mandelic acid
- Summenformel
- C10H10O4
- Molmasse
- 194.18
Namen und Synonyme
(+)-O-Acetyl-L-mandelic AcidRefChem:390620672-773-87322-88-5(S)-2-Acetoxy-2-phenylacetic Acid(S)-O-Acetylmandelic Acid(S)-(+)-O-Acetylmandelic acid(2S)-2-acetyloxy-2-phenylacetic acidacetyl mandelic acid(S)-(+)-alpha-Acetoxyphenylacetic acid(+)-acetylmandelic acidMFCD00064215
Weitere Namen anzeigen
2-ACETOXY-2-PHENYLACETIC ACIDpha-AcetoxyphenyLO-ACETYL MANDELIC ACIDFexolodine impurity 22L-O-AcetylMandelic AcidFesoterodine Impurity 22S- 0 - ACETYLMANDELIC ACID
S-Acetylmandelic AcidAcetylmandelic acid, (+)-(S)-(+)-O-Acetyl-L-mandelic acid(+)-o-acetylmandelic acid(S)-alpha-Acetoxyphenylacetic acidL-(+)-O-Acetylmandelic AcidMandelic acid, acetate, L-(2S)-2-Acetoxy-2-phenyl-acetic acid
Datenbank-Bezeichner
- CAS
7322-88-5- PubChem CID
- 6923379
- DTXSID
DTXSID50872032
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 218
Physikochemische Eigenschaften
- Schmelzpunkt
- 98 · 98-101 °C
- Siedepunkt
- 317.8 · 317.8±30.0 °C(Predicted)
- Dichte
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- Brechungsindex
- 153 ° · 153 ° (C=2, Acetone)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Acetone, Chloroform
- Aggregatzustand
- Solid
- pka
- 2.76 · 2.76±0.10(Predicted)
- Farbe
- White
- BRN
- 2694109 · 2694109
- Kosmetik-Inhaltsstoffe Funktionen
- BUFFERING
- InChI
- 1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1
- InChIKey
- YCCSWLJUVZBEAS-VIFPVBQESA-N
- SMILES
- CC(=O)O[C@H](C(O)=O)c1ccccc1
- LogP
- 1.78 · 1.780 (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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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 CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29181990
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationCosmetics -> Buffering
Anwendungen
Verwenden(S)-(+)-O-Acetyl-L-mandelic acid is an antibacterial used particularly in the treatment of urinary tract infections.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…