4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one

HCID 236547CAS 2979-69-3

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Grundinformationen

Standard-SMILES: CC1(C)CCC(=O)c2ccccc21
InChIKey: NHDVZOXPHYFANX-UHFFFAOYSA-N
Summenformel: C12H14O
Durchschnittliche Molmasse: 174,24 g/mol
Monoisotopische Masse: 174,10446507

Namen und Bezeichner

Bevorzugter Name: 4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one
IUPAC: 4,4-dimethyl-2,3-dihydronaphthalen-1-one
Englischer Name: 4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-one
Summenformel: C12H14O
Molmasse: 174.24

Namen und Synonyme

4,4-Dimethyl-3,4-dihydro-2H-naphthalen-1-oneRefChem:507409676-104-02979-69-34,4-dimethyl-3,4-dihydronaphthalen-1(2h)-one4,4-dimethyl-1-tetralone4,4-dimethyltetralin-1-oneMFCD000896064,4-dimethyl-2,3-dihydronaphthalen-1-oneMLS0026081424,4-dimethyltetralone1(2H)-Naphthalenone, 3,4-dihydro-4,4-dimethyl-

Weitere Namen anzeigen

NSC 391284,4-DIMETHYL TETRALONE3,4-Dihydro-4,4-diMethyl-1(2H)-naphthalenone3,4-dihydro-4,4-diMethyl-naphthalen-1(2H)-one

4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-oneNSC39128SCHEMBL1119749SCHEMBL1810416CHEMBL1878901SCHEMBL30205839DTXSID70284810NHDVZOXPHYFANX-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 2979-69-3
PubChem CID: 236547
DTXSID: DTXSID70284810
ChEMBL: CHEMBL1878901
EC Number: 676-104-0
Nikkaji: J506.728F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 12 · 12-14 °C
Siedepunkt: 119 · 119-120 °C(Press: 6 Torr)
Dichte: 1.017 · 1.017±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Dark Red

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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.