5-Tert-butyl-m-xylene (HCID 7378)

Namen und Bezeichner

Bevorzugter Name: 5-Tert-butyl-m-xylene
IUPAC: 1-tert-butyl-3,5-dimethylbenzene
Lokaler Name: 5-tert-Butyl-m-xylol
Englischer Name: 1-tert-Butyl-3,5-dimethylbenzene
Summenformel: C12H18
Molmasse: 162.27

Namen und Synonyme

5-tert-Butyl-m-xylene98-19-11-tert-Butyl-3,5-dimethylbenzeneBenzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-1,3-Dimethyl-5-tert-butylbenzenem-Xylene, 5-tert-butyl-5-tert-Butyl-1,3-dimethylbenzeneNSC 11016Benzene, 5-tert-butyl-1,3-dimethyl-EINECS 202-647-61-(1,1-Dimethylethyl)-3,5-dimethylbenzene2GX9N8TLC9

Weitere Namen anzeigen

4-tert-Butyl-2,6-dimethylbenzeneLowinox TBMX5-butyl-xyleneButyl-m-xylenet-Butyl-m-xylenetert-Butyl-m-xylene5-tert-butyl-m-xylen5-T-BUTYL-1,3-XYLENE

BRN 1853314AI3-02460NSC-11016Benzene, 1,3-dimethyl-5-(1,1-dimethylethyl)-DTXSID20526594-05-00-01130 (Beilstein Handbook Reference)XYLOMETAZOLINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]XYLOMETAZOLINE HYDROCHLORIDE IMPURITY D (EP IMPURITY)

Datenbank-Bezeichner

CAS: 98-19-1
PubChem CID: 7378
DTXSID: DTXSID2052659
UNII: 2GX9N8TLC9
EC Number: 202-647-6
Nikkaji: J107.267F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 131

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1163.6；1164；1165.2；1165；1163；1169.6；1152；1163；1152；1169；1152

1151；1146.85；1160；1140；1160

1391.4；1430.8；1385；1385

Physikochemische Eigenschaften

Schmelzpunkt: -18 °C · -18 °C
Siedepunkt: 205 · 205-206 °C(lit.)
Dichte: 0.867 g/mL · 0.867 g/mL at 25 °C(lit.)
Dampfdruck: 0.4 hPa · 0.4 hPa (20 °C)
Brechungsindex: 20 · n20/D 1.495(lit.)
Flammpunkt: 162 °F · 162 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
PH: 7 · 7 (H2O, 20℃)
BRN: 1853314 · 1853314
Henry's Law Constant: 5.8 · 5.8×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
InChIKey: FZSPYHREEHYLCB-UHFFFAOYSA-N
SMILES: C1(C(C)(C)C)=CC(C)=CC(C)=C1
CAS Datenbank: 98 · 98-19-1(CAS DataBase Reference)
EPA chemische Informationen: 5 · 5-tert-Butyl-m-xylene (98-19-1)

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 (95.7%): 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)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-

Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23547

1,3-Dimethyl-5-tert-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.7%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-

Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23547

1,3-Dimethyl-5-tert-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2902 90 00
RTECS-Nr.: ZE3900000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Selbstentzündungstemperatur: 560 °C DIN 51794

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-: ACTIVE

Anwendungen

Verwenden1-tert-Butyl-3,5-dimethylbenzene has been used in the synthesis of bulky, multi-alkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6-triisopropylphenyl) disulfide.