[1,1'-Bicyclohexyl]-4,4'-diol

Einecs 243-908-4 · 4,4'-BICYCLOHEXANOL · 4,4''-Bicyclohexanol · 4,4'-BICYCLOHEXYLDIOL · 4,4'-DICYCLOHEXYLDIOL · 4,4'-BICYCLOHEXANEDIOL · dicyclohexyl-4,4'-diol · 4,4'-Bicyclohexanol>4,4''-BICYCLOHEXANOL 98+%

https://huagongshe.com/de/chemical/88608

Molekülstruktur von [1,1'-Bicyclohexyl]-4,4'-diol

Identifikatoren & physikalische Daten

CAS No.	20601-38-1
Summenformel	C12H22O2
Durchschnittliche Molmasse	198,3 g/mol
Monoisotopische Masse	198,16197994 g/mol
SMILES	OC1CCC(C2CCC(O)CC2)CC1
InChIKey	MZXNOAWIRQFYDB-UHFFFAOYSA-N
PubChem CID	88608
EC No.	243-908-4
DTXSID	DTXSID20174616
Lokaler Name	[1,1'-Bicyclohexyl]-4,4'-diol

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	145
Schmelzpunkt	184-188 °C
Siedepunkt	324.2±10.0 °C(Predicted)
Dichte	1.098±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	14.99±0.40(Predicted)
Farbe	White to Almost white
InChI	InChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2
InChIKey	MZXNOAWIRQFYDB-UHFFFAOYSA-N
SMILES	C1(C2CCC(O)CC2)CCC(O)CC1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2906190090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36

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HCID 88608Erstellt: 4. November 2026

[1,1'-Bicyclohexyl]-4,4'-diol

https://huagongshe.com/de/chemical/88608

Identifikatoren & physikalische Daten

CAS No.	20601-38-1
Summenformel	C12H22O2
Durchschnittliche Molmasse	198,3 g/mol
Monoisotopische Masse	198,16197994 g/mol
SMILES	OC1CCC(C2CCC(O)CC2)CC1
InChIKey	MZXNOAWIRQFYDB-UHFFFAOYSA-N
PubChem CID	88608
EC No.	243-908-4
DTXSID	DTXSID20174616
Lokaler Name	[1,1'-Bicyclohexyl]-4,4'-diol

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	145
Schmelzpunkt	184-188 °C
Siedepunkt	324.2±10.0 °C(Predicted)
Dichte	1.098±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	14.99±0.40(Predicted)
Farbe	White to Almost white
InChI	InChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2
InChIKey	MZXNOAWIRQFYDB-UHFFFAOYSA-N
SMILES	C1(C2CCC(O)CC2)CCC(O)CC1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2906190090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36