4-tert-Butyl-2,5-xylenol

Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

HCID 87249CAS 17696-37-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cc(C(C)(C)C)c(C)cc1O
InChIKey: ZSPDNAYHQYQUPC-UHFFFAOYSA-N
Summenformel: C12H18O
Durchschnittliche Molmasse: 178,27 g/mol
Monoisotopische Masse: 178,1357652

Namen und Bezeichner

Bevorzugter Name: Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-
IUPAC: 4-tert-butyl-2,5-dimethylphenol
Lokaler Name: 4-tert-Butyl-2,5-xylenol
Englischer Name: 4-tert-butyl-2,5-xylenol
Summenformel: C12H18O
Molmasse: 178.27

Namen und Synonyme

17696-37-6Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-4-tert-Butyl-2,5-xylenol4-(1,1-Dimethylethyl)-2,5-dimethylphenolEINECS 241-696-8DTXSID5066247RefChem:861198DTXCID8035633241-696-84-tert-butyl-2,5-dimethylphenol4-(tert-Butyl)-2,5-dimethylphenolMFCD24713532

Weitere Namen anzeigen

Oxymetazoline Impurity 122,5-Dimethyl-4-tert-butylphenol4-(1,1-dimethylethyl)-2,5-dimethyl-pheno4-(1,1-dimethylethyl)-2,5-dimethyl-phenol

2,5-dimethyl-4-(1,1-dimethylethyl)-phenol4-t-Butyl-2,5-xylenol2,5-dimethyl-4-t-butylphenolPQ5T58P9K8SCHEMBL1245497SCHEMBL298726964-tert-butyl-2,5-dimethyl-phenolSAA69637

Datenbank-Bezeichner

CAS: 17696-37-6
PubChem CID: 87249
DTXSID: DTXSID5066247
UNII: PQ5T58P9K8
EC Number: 241-696-8
Nikkaji: J287.126B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 168

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 71.2 °C · 71.2°C
Siedepunkt: 260.36 °C · 260.36°C (estimate)
Dichte: 0.939 · 0.9390
Brechungsindex: 1.5311 · 1.5311
EPA chemische Informationen: 4 · Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl- (17696-37-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 96.4% (27 of 28) of all reports.

Not Classified

Aggregated GHS information provided per 28 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified