2-Hydroxypropiophenon

2-Hydroxy-1-phenyl-1-propanone

HCID 101121

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Grundinformationen

CAS: 5650-40-8
Standard-SMILES: CC(O)C(=O)c1ccccc1
InChIKey: WLVPRARCUSRDNI-UHFFFAOYSA-N
Summenformel: C9H10O2
Durchschnittliche Molmasse: 150,17 g/mol
Monoisotopische Masse: 150,06807956

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-1-phenyl-1-propanone
IUPAC: 2-hydroxy-1-phenylpropan-1-one
Lokaler Name: 2-Hydroxypropiophenon
Englischer Name: 2-hydroxypropiophenone
Summenformel: C9H10O2
Molmasse: 150.17

Namen und Synonyme

2-Hydroxypropiophenone2-hydroxy-1-phenyl-1-propanone5650-40-82-hydroxy-1-phenylpropan-1-onealpha-hydroxypropiophenone1-Propanone, 2-hydroxy-1-phenyl-1-phenyl-2-hydroxy-1-propanoneG5VB9JW33LCHEBI:63553DTXSID80871139RefChem:473494DTXCID70818811

Weitere Namen anzeigen

NSC 402216LactophenoneBenzoylmethylcarbinol2-Hydroxypropionylbenzene(1-Hydroxyethyl)phenyl ketoneα-Methyl-α-hydroxyacetophenone1-Phenyl-2-hydroxy 1-propanone

227-091-1EINECS 227-091-1AI3-20420alpha-hydroxy-propiophenonePropiophenone, 2-hydroxy-1-Hydroxyethyl phenyl ketoneSCHEMBL27003SCHEMBL96304

Datenbank-Bezeichner

CAS: 5650-40-8
PubChem CID: 101121
DTXSID: DTXSID80871139
ChEBI: CHEBI:63553
UNII: G5VB9JW33L
EC Number: 227-091-1
Nikkaji: J225.071C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 18 · 18-19 °C
Siedepunkt: 251 °C · 251°C (estimate)
Dichte: 1.1085 · 1.1085
Brechungsindex: 1.536 · 1.5360 (estimate)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
pka: 13.16 · 13.16±0.20(Predicted)
Aggregatzustand: Oil
Farbe: Pale Yellow to Yellow
Stabilität: Hygroscopic

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 2 reports by companies from 1 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.