6-tert-Butyl-3-(chlormethyl)-2,4-xylenol

6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol

HCID 90131CAS 23500-79-0

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Grundinformationen

Standard-SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1CCl
InChIKey: WODZSHMAILHEGD-UHFFFAOYSA-N
Summenformel: C13H19ClO
Durchschnittliche Molmasse: 226,74 g/mol
Monoisotopische Masse: 226,11244291

Namen und Bezeichner

Bevorzugter Name: 6-tert-Butyl-3-(chloromethyl)-2,4-dimethylphenol
IUPAC: 6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol
Lokaler Name: 6-tert-Butyl-3-(chlormethyl)-2,4-xylenol
Englischer Name: 2-(t-Butyl)-3-chloromethyl-4,6-dimethylphenol
Summenformel: C13H19ClO
Molmasse: 226.74

Namen und Synonyme

6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenolPhenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl-UNII-UBT89ISP7LUBT89ISP7L3-(Chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethylphenol2,4-Dimethyl-3-(chloromethyl)-6-tert-butylphenol6-tert-Butyl-3-(chloromethyl)-2,4-xylenolEINECS 245-697-4Phenol, 6-tert-butyl-3-(chloromethyl)-2,4-dimethyl-6-tert-Butyl-3-chloromethyl-2,4-xylenolDTXSID30278276-TERT-BUTYL-3-CHLOROMETHYL-2,4-DIMETHYLPHENOL

Weitere Namen anzeigen

Butenafine Impurity 87Oxymetazoline Impurity 4Hydroxymethazoline impurity 102-(t-Butyl)-3-chloromethyl-4,6-dimethylphenol2-tert-Butyl-3-chloromethyl-4,6-dimethylphenol3-Chloromethyl-6-(1,1-dimethylethyl)-2,4-dimethylphenol2,4-Dimethyl-3-(chloromethyl)-6-(1,1-dimethylethyl)phenol

4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL CHLORIDERefChem:199123DTXCID70782723500-79-04-tert butyl-2,6-dimethyl-3-hydroxy benzyl chlorideOxymetazoline Impurity N1SCHEMBL1720100SCHEMBL29824041

Datenbank-Bezeichner

CAS: 23500-79-0
PubChem CID: 90131
DTXSID: DTXSID3027827
UNII: UBT89ISP7L
EC Number: 245-697-4
Nikkaji: J228.981D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 209

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 312.9 · 312.9±37.0 °C(Predicted)
Dichte: 1.055 · 1.055±0.06 g/cm3(Predicted)
pka: 11.65 · 11.65±0.28(Predicted)
EPA chemische Informationen: 3 · Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- (23500-79-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-(chloromethyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (100%)