Dihydrochalcone

HCID 64802CAS 1083-30-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(CCc1ccccc1)c1ccccc1
InChIKey: QGGZBXOADPVUPN-UHFFFAOYSA-N
Summenformel: C15H14O
Durchschnittliche Molmasse: 210,27 g/mol
Monoisotopische Masse: 210,10446507

Überblick

Dihydrochalcone is a member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. It has a role as a plant metabolite.

Namen und Bezeichner

Bevorzugter Name: Dihydrochalcone
IUPAC: 1,3-diphenylpropan-1-one
Englischer Name: BETA-PHENYLPROPIOPHENONE
Summenformel: C15H14O
Molmasse: 210.27

Namen und Synonyme

1,3-diphenylpropan-1-oneDihydrochalcone1083-30-33-Phenylpropiophenonebeta-PhenylpropiophenoneHydrochalconeHydrocinnamophenone1,3-Diphenyl-1-oxopropane1-Propanone, 1,3-diphenyl-H5W525SX7QCHEBI:71231NSC-12245

Weitere Namen anzeigen

BENZYL ACETOPHENONEihydrochalconeβ-Phenylpropiophenone

DTXSID7061481RefChem:133754DTXCID7033109621-467-21,3-Diphenyl-1-propanoneBenzylacetophenonePhenethyl phenyl ketonePhenyl phenethyl ketone

Datenbank-Bezeichner

CAS: 1083-30-3
PubChem CID: 64802
DTXSID: DTXSID7061481
ChEMBL: CHEMBL490143、CHEMBL490512
ChEBI: CHEBI:71231
UNII: H5W525SX7Q
EC Number: 621-467-2
Nikkaji: J254.530F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 209

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

SpringerMaterials PropertiesDensity

Melting Point72 - 73 °C

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-72°C
Siedepunkt: 145 · 145-150 °C(Press: 7 Torr)
Dichte: 1.0614 g/cm3 · 1.0614 g/cm3(Temp: 23 °C)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 1910661 · 1910661
InChIKey: QGGZBXOADPVUPN-UHFFFAOYSA-N
LogP: 3.83 · 3.830 (est)
CAS Datenbank: 1083 · 1083-30-3(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Propanone, 1,3-diphenyl- (1083-30-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2A (97.5%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2914.39.9000
safety_code: 22-24/25

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

General Manufacturing Information1-Propanone, 1,3-diphenyl-: INACTIVE

Anwendungen

Verwenden3-Phenylpropiophenone is a potential antioxidant, found in fruit extracts, and is synthesized as a part of last stage applications to natural products and pharmaceuticals.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Hesperidin (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyron alkyl polyglucoside Hesperidinase Neohesperidosyl dihydrochalcone Flavon 7-(2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavon α-L-Rhamnopyranose monohydrate Benzylalkohol Chalkon Acetophenon 1,2-diphenylpropan-1-one

Nachgelagerte Produkte

2,4-Diphenylpyrrole

Anbieter50 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group.