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HCID 77333Erstellt: 4. November 2026

4,4'-Isopropylidenbis[(allyloxy)benzol]

BBE · DIALLYLETHER BISPHENOL A · Bisphenol A diallyl ether · Bisphenol A bisallyl ether · diallylether of bisphenol A · PARA-DIALLYL ETHER BISPHENOL-A · 4,4'-isopropylidenebis[(allyloxy)benzene] · 4,4'-(Propane-2,2-diyl)bis((allyloxy)benzene)

https://huagongshe.com/de/chemical/77333

Molekülstruktur von 4,4'-Isopropylidenbis[(allyloxy)benzol]

Identifikatoren & physikalische Daten

CAS No.	3739-67-1
Summenformel	C21H24O2
Durchschnittliche Molmasse	308,4 g/mol
Monoisotopische Masse	308,17763 g/mol
SMILES	C=CCOc1ccc(C(C)(C)c2ccc(OCC=C)cc2)cc1
InChIKey	SCZZNWQQCGSWSZ-UHFFFAOYSA-N
PubChem CID	77333
EC No.	223-123-3
DTXSID	DTXSID30863266
Lokaler Name	4,4'-Isopropylidenbis[(allyloxy)benzol]

Chemische & physikalische Eigenschaften

XLogP	5,9
Polarare Oberfläche (TPSA)	18,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	8
Schwere Atome	23
Formalladung	0
Komplexität	324
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	Liquid
Siedepunkt	125-180 °C
Dichte	1.043 g/cm3(Temp: 25 °C)
InChI	InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
InChIKey	SCZZNWQQCGSWSZ-UHFFFAOYSA-N
SMILES	C(C1=CC=C(OCC=C)C=C1)(C1=CC=C(OCC=C)C=C1)(C)C
CAS Datenbank	3739-67-1(CAS DataBase Reference)
EPA chemische Informationen	Bisphenol A diallyl ether (3739-67-1)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (87.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 33 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Benzene, 1,1'-(1-methylethylidene)bis[4-(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1-methylethylidene)bis[4-(2-propen-1-yloxy)- 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)REACH registered substance: 4,4'-isopropylidenebis[(allyloxy)benzene] (EC: 223-123-3)Diallyl bisphenol A: 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 Categories	Skin Irrit. 2 (87.9%)
TSCA-Inventar-Status	TSCA listed

CAS No.

3739-67-1

Summenformel

C21H24O2

Durchschnittliche Molmasse

308,4 g/mol

Monoisotopische Masse

308,17763 g/mol

SMILES

C=CCOc1ccc(C(C)(C)c2ccc(OCC=C)cc2)cc1

InChIKey

SCZZNWQQCGSWSZ-UHFFFAOYSA-N

PubChem CID

77333

EC No.

223-123-3

DTXSID

DTXSID30863266

Lokaler Name

4,4'-Isopropylidenbis[(allyloxy)benzol]

Chemische & physikalische Eigenschaften

XLogP

5,9

Polarare Oberfläche (TPSA)

18,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

324

Endocrine Disruptors

Potential endocrine disrupting compound

Physical Description

Liquid

Siedepunkt

125-180 °C

Dichte

1.043 g/cm3(Temp: 25 °C)

InChI

InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3

InChIKey

SCZZNWQQCGSWSZ-UHFFFAOYSA-N

SMILES

C(C1=CC=C(OCC=C)C=C1)(C1=CC=C(OCC=C)C=C1)(C)C

CAS Datenbank

3739-67-1(CAS DataBase Reference)

EPA chemische Informationen

Bisphenol A diallyl ether (3739-67-1)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (87.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 33 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Benzene, 1,1'-(1-methylethylidene)bis[4-(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1-methylethylidene)bis[4-(2-propen-1-yloxy)- 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)REACH registered substance: 4,4'-isopropylidenebis[(allyloxy)benzene] (EC: 223-123-3)Diallyl bisphenol A: 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 Categories

Skin Irrit. 2 (87.9%)

TSCA-Inventar-Status

TSCA listed