Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-

HCID 3292100

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Grundinformationen

CAS: 13595-25-0
Standard-SMILES: CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1
InChIKey: PVFQHGDIOXNKIC-UHFFFAOYSA-N
Summenformel: C24H26O2
Durchschnittliche Molmasse: 346,5 g/mol
Monoisotopische Masse: 346,19328007

Überblick

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Namen und Bezeichner

Bevorzugter Name: Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-
IUPAC: 4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
Englischer Name: 4,4'-(1,3-Phenylenediisopropylidene)bisphenol
Summenformel: C24H26O2
Molmasse: 346.46

Namen und Synonyme

1,3-Bis[2-(4-hydroxyphenyl)-2-propyl]benzeneBisphenol MPhenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-EC 428-970-44,4'-(1,3-Phenylenediisopropylidene)bisphenol1,3-Bis(2-(4-hydroxyphenyl)-2-propyl)benzene4,4'-(1,3-phenylene-bis(1-methylethylidene))bis-phenolPhenol, 4,4'-(1,3-phenylenebis(1-methylethylidene))bis-Phenol, 4,4'-(m-phenylenediisopropylidene)diRefChem:860923603-937-913595-25-0

Weitere Namen anzeigen

Bisphenol?M(BP-M)Bisphenol M SolutionC10655930 BisphenoLMLABOTEST-BB LT00159392Fampridine Impurity 19Bisphenol M in acetonitrile1,3-BIS(4-HYDROXYCUMYL)BENZENEBisphenol M@10 mg/mL in Methanol

MFCD001346884,4-(1,3-PHENYLENEDIISOPROPYLIDENE)BISPHENOL4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenolSCHEMBL269684-(2-{3-[2-(4-HYDROXYPHENYL)PROPAN-2-YL]PHENYL}PROPAN-2-YL)PHENOLDTXSID7065548US9688816, K1,3-bis[1-methyl-1-(4-hydroxyphenyl)ethyl]benzene

Datenbank-Bezeichner

CAS: 13595-25-0
PubChem CID: 3292100
DTXSID: DTXSID7065548
ChEMBL: CHEMBL5920312
UNII: P9VL9VLK8V
EC Number: 603-937-9
Nikkaji: J105.959I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,1
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 26
Formalladung: 0
Komplexität: 399

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 135 · 135-139 °C (lit.)
Siedepunkt: 495.9 · 495.9±35.0 °C(Predicted)
Dichte: 1.107 · 1.107±0.06 g/cm3(Predicted)
Dampfdruck: 0.001 Pa · 0.001Pa at 25℃
Löslichkeit: soluble in Methanol
pka: 10.31 · 10.31±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
InChIKey: PVFQHGDIOXNKIC-UHFFFAOYSA-N
SMILES: C1(C(C2=CC=C(O)C=C2)(C)C)=CC=CC(C(C2=CC=C(O)C=C2)(C)C)=C1
LogP: 4.3 at · 4.3 at 40℃
EPA chemische Informationen: 4 · Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis- (13595-25-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)