5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

HCID 226702CAS 22825-11-2

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Grundinformationen

Standard-SMILES: COc1cc(C)cc2c1C(C)(C)CCC2(C)C
InChIKey: ZHZCSOFYUGAJBH-UHFFFAOYSA-N
Summenformel: C16H24O
Durchschnittliche Molmasse: 232,36 g/mol
Monoisotopische Masse: 232,18271539

Namen und Bezeichner

Bevorzugter Name: 5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
IUPAC: 5-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

Namen und Synonyme

5-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene22825-11-2DTXSID50280552RefChem:303643DTXCID50231706660-980-6NSC17414SCHEMBL9217192ZHZCSOFYUGAJBH-UHFFFAOYSA-N1,1,4,4,7-pentamethyl-5-methoxy-1,2,3,4-tetrahydronaphthaleneNSC-17414AKOS024325149

Weitere Namen anzeigen

1-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene

Datenbank-Bezeichner

CAS: 22825-11-2
PubChem CID: 226702
DTXSID: DTXSID50280552
EC Number: 660-980-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 279

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.