Grundinformationen
- Standard-SMILES
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1- InChIKey
CDBAMNGURPMUTG-UHFFFAOYSA-N- Summenformel
- C15H28O2
- Durchschnittliche Molmasse
- 240,38 g/mol
- Monoisotopische Masse
- 240,20893013
Namen und Bezeichner
- Bevorzugter Name
- Hydrogenated bisphenol a
- IUPAC
- 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
- Lokaler Name
- 4,4'-Isopropylidendicyclohexanol
- Englischer Name
- Hydrogenated bisphenol A （HBPA）
- Summenformel
- C15H28O2
- Molmasse
- 240.38
Namen und Synonyme
4,4'-Isopropylidenedicyclohexanol2,2-Bis(4-hydroxycyclohexyl)propaneDodecahydrobisphenol ACyclohexanol, 4,4'-(1-methylethylidene)bis-Perhydrobisphenoldicyclohexanolpropane1,1'-Isopropylidenebis(4-cyclohexanol)4,4'-Propane-2,2-diyldicyclohexanolDTXSID0044993NSC-8990NXZ4H12R1ZCyclohexanol, 4,4'-isopropylidenedi-
Weitere Namen anzeigen
HYDROGENATED BISPHENOL A4,4'-(Propane-2,2-diyl)dicyclohexanolH-BPAMaruzen H-BPAPERHYDROBISPHENOL AHydrogenated Biphenol ABISPHENOL A HYDROGENATED4'-IsopropylidenedicyclohexanolHYDROGENATED BISPHENOL A (HBPA)
NSC 8990EINECS 201-244-2AI3-25180DTXCID8024993EC 201-244-2RefChem:789126Cyclohexanol, 4,4'-isopropylidenedi-(8CI)80-04-6
Datenbank-Bezeichner
- CAS
13804-54-1、13804-57-4、13804-58-5、80-04-6- PubChem CID
- 94932
- DTXSID
DTXSID0044993- ChEMBL
CHEMBL3185065- UNII
- NXZ4H12R1Z
- EC Number
- 201-244-2
- Nikkaji
- J192.573C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 209
Experimentelle und physikochemische Eigenschaften
Physical DescriptionDry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 187 °C · 187 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
- Siedepunkt
- 230 · 230-234 °C14 mm Hg(lit.)
- Dichte
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- Dampfdruck
- 0.001 Pa · 0.001Pa at 25℃
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- Löslichkeit
- Insoluble in water
- Aggregatzustand
- powder to lump
- pka
- 15.01 · 15.01±0.40(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 192 mg/L · 192mg/L at 20℃
- Henry's Law Constant
- 9.7 · 9.7×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
- InChIKey
- CDBAMNGURPMUTG-UHFFFAOYSA-N
- SMILES
- C(C1CCC(O)CC1)(C1CCC(O)CC1)(C)C
- LogP
- 2.5 at · 2.5 at 25℃
- CAS Datenbank
- 80 · 80-04-6(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Cyclohexanol, 4,4'-(1-methylethylidene)bis- (80-04-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 7% (13 of 185) of reports.
Warning
H319 (29.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H412 (63.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 13 of 185 reports by companies.；There are 5 notifications provided by 172 of 185 reports by companies with hazard statement code(s).；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
Chemical: Cyclohexanol, 4,4'-(1-methylethylidene)bis-
Cyclohexanol, 4,4'-(1-methylethylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4,4'-(1-methylethylidene)bis- 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)
Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11451
Cyclohexanol, 4,4'-(1-methylethylidene)bis-: 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 CategoriesEye Irrit. 2 (29.2%)；Aquatic Chronic 3 (63.2%)
Regulatorische Informationen
Regulatory Information
Chemical: Cyclohexanol, 4,4'-(1-methylethylidene)bis-
Cyclohexanol, 4,4'-(1-methylethylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4,4'-(1-methylethylidene)bis- 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)
Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11451
Cyclohexanol, 4,4'-(1-methylethylidene)bis-: 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.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906.19.5000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb；2022: 50,000 - <250,000 lb；2021: 250,000 - <550,000 lb；2020: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Material and Resin Manufacturing
Cyclohexanol, 4,4'-(1-methylethylidene)bis-: ACTIVE
Anwendungen
Beschreibung2,2-Bis(4-hydroxycyclohexyl)propane, also known as 4,4'-Isopropylidenedicyclohexanol, is a crystalline, colorless, and odorless compound. The conformation of the cyclohexane rings gives rise to cis-cis, cis-trans and trans-trans isomers. The industrial product is a mixture of these stereoisomers. The physical properties depend on the relative amounts of the isomers present. The trans-trans compound has the lowest energy and is formed from the other isomers at higher temperature. It has the lowest solubility in solvents such as methanol, butanol, and acetone and has the highest melting point of these isomers.
Verwenden4,4'-isopropylidenedicyclohexanol is unsaturated polyester resin, epoxy resin raw materials, especially as glass, steel, artificial marble bathtub, plating tank and other components, and has a water resistance, chemical resistance, thermal stability and light stability.
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