γ-Phenyl-γ-butyrolacton

gamma-Phenyl-gamma-butyrolactone

HCID 13884CAS 1008-76-0

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Grundinformationen

Standard-SMILES: O=C1CCC(c2ccccc2)O1
InChIKey: AEUULUMEYIPECD-UHFFFAOYSA-N
Summenformel: C10H10O2
Durchschnittliche Molmasse: 162,18 g/mol
Monoisotopische Masse: 162,06807956

Namen und Bezeichner

Bevorzugter Name: gamma-Phenyl-gamma-butyrolactone
IUPAC: 5-phenyloxolan-2-one
Lokaler Name: γ-Phenyl-γ-butyrolacton
Englischer Name: gamma-Phenyl-gamma-butyrolactone
Summenformel: C10H10O2
Molmasse: 162.19

Namen und Synonyme

1008-76-0gamma-Phenyl-gamma-butyrolactoneRefChem:10857085-phenyloxolan-2-one5-Phenyldihydrofuran-2(3H)-one4-Phenylbutanolide2(3H)-Furanone, dihydro-5-phenyl-4-Phenyl-4-butanolide4-Phenylbutyrolactone5-Phenyltetrahydrofuran-2-one4-Phenyl-4-hydroxybutanoic acid lactoneNSC 24259

Weitere Namen anzeigen

γ-phenyl-γ-butyrolactoneγ-Phenyl-γ-butyrolactonegamma-Phenylbutyrolactoneγ-Phenyl-γ-butyrolactone>5-PHENYL-DIHYDRO-FURAN-2-ONE

4,5-Dihydro-5-phenyl-2(3H)-furanoneMFCD00005398NSC 480482(3H)-FURANONE, 4,5-DIHYDRO-5-PHENYL-.gamma.-Phenyl-.gamma.-butyrolactone.gamma.-PhenylbutyrolactoneCHEMBL1919895-Phenyldihydro-2(3H)-furanone

Datenbank-Bezeichner

CAS: 1008-76-0
PubChem CID: 13884
DTXSID: DTXSID50870831
ChEMBL: CHEMBL191989
UNII: MSP7V2HE35
EC Number: 213-761-0
Nikkaji: J75.506K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-37 °C (lit.)
Siedepunkt: 306 °C · 306 °C (lit.)
Dichte: 1.155 g/mL · 1.155 g/mL at 25 °C (lit.)
Brechungsindex: 1.5415 · 1.5415-1.5435
Flammpunkt: 230 °F · >230 °F
Aggregatzustand: Liquid After Melting
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 125169 · 125169
InChI: 1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey: AEUULUMEYIPECD-UHFFFAOYSA-N
SMILES: O=C1CCC(O1)c2ccccc2
CAS Datenbank: 1008 · 1008-76-0(CAS DataBase Reference)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.