Di-p-tolylether

Benzene, 1,1'-oxybis[4-methyl-

HCID 74098CAS 1579-40-4

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Grundinformationen

Standard-SMILES: Cc1ccc(Oc2ccc(C)cc2)cc1
InChIKey: YWYHGNUFMPSTTR-UHFFFAOYSA-N
Summenformel: C14H14O
Durchschnittliche Molmasse: 198,26 g/mol
Monoisotopische Masse: 198,10446507

Namen und Bezeichner

Bevorzugter Name: Benzene, 1,1'-oxybis[4-methyl-
IUPAC: 1-methyl-4-(4-methylphenoxy)benzene
Lokaler Name: Di-p-tolylether
Englischer Name: 4-Tolyl ether
Summenformel: C14H14O
Molmasse: 198.26

Namen und Synonyme

1579-40-4p-Tolyl etherBenzene, 1,1'-oxybis[4-methyl-1,1'-Oxybis(4-methylbenzene)Benzene, 1,1'-oxybis(4-methyl-EINECS 216-423-01,1'-Oxybis[4-methylbenzene]DTXSID2061800Benzene, 1,1'-oxybis*4-methyl-p-Tolyl ether (6CI,7CI,8CI)RefChem:117280DTXCID1035078

Weitere Namen anzeigen

DITOLYL ETHERDi-p-tolyl ehterdi-4-Tolyl etherDi-p-tolylEther>Bis-(4-tolyl)-ether

InChI=1/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2HYWYHGNUFMPSTTR-UHFFFAOYSA-NDi-p-tolyl ether4-Tolyl ether4,4'-Oxybis(methylbenzene)4,4'-Dimethyldiphenyl etherBis(4-methylphenyl) ether1-Methyl-4-(4-methylphenoxy)benzene

Datenbank-Bezeichner

CAS: 1579-40-4、28299-41-4
PubChem CID: 74098
DTXSID: DTXSID2061800
UNII: EJS2TP859V
EC Number: 216-423-0、248-948-6
Nikkaji: J102.218K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-49 °C (lit.)
Siedepunkt: 285 °C · 285 °C (lit.)
Dichte: 1.0074 · 1.0074 (rough estimate)
Brechungsindex: 1.5948 · 1.5948 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in acetone, benzene, ether.
Aggregatzustand: Solid
Farbe: Pale yellow
InChI: InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: YWYHGNUFMPSTTR-UHFFFAOYSA-N
SMILES: O(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
CAS Datenbank: 1579 · 1579-40-4(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Methyl-4-(4-methylphenoxy)benzene(1579-40-4)
EPA chemische Informationen: p-Tolyl ether (1579-40-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 47.4% (37 of 78) of reports.

Warning

H315 (52.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 57.1% (24 of 42) of all reports.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 23-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10988

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (31%)

Skin Irrit. 2 (52.6%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9/PG 3
hs_code: 29093090
RTECS-Nr.: DA6625000
risk_code: 36/37/38-50/53
hazard_code: Xi,N
safety_code: 26-36-61
hazard_class: 9

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,1'-oxybis[4-methyl-: INACTIVE

Anwendungen

VerwendenDi-p-tolyl ether is used to form conformationally chiral molecules in the solid state, while the chirality of 1,3-dimethyl-2-phenoxybenzene arises from the formation of supramolecular helices.