2,2,4,4-Tetramethylcyclobutan-1,3-diol, isomerengemisch
2,2,4,4-Tetramethylcyclobutane-1,3-diol
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Grundinformationen
- CAS
2694-23-7- Standard-SMILES
CC1(C)C(O)C(C)(C)C1O- InChIKey
FQXGHZNSUOHCLO-UHFFFAOYSA-N- Summenformel
- C8H16O2
- Durchschnittliche Molmasse
- 144,21 g/mol
- Monoisotopische Masse
- 144,11502975
Namen und Bezeichner
- Bevorzugter Name
- 2,2,4,4-Tetramethylcyclobutane-1,3-diol
- IUPAC
- 2,2,4,4-tetramethylcyclobutane-1,3-diol
- Lokaler Name
- 2,2,4,4-Tetramethylcyclobutan-1,3-diol, isomerengemisch
- Englischer Name
- 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
- Summenformel
- C8H16O2
- Molmasse
- 144.21
Namen und Synonyme
2,2,4,4-Tetramethyl-1,3-cyclobutanediol3010-96-62,2,4,4-tetramethylcyclobutane-1,3-diol1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-Tetramethyl-1,3-cyclobutanediolDTXSID9044908EINECS 221-140-0NSC 46473UNII-9T56625HW3AI3-26279DTXCID7024908FQXGHZNSUOHCLO-UHFFFAOYSA-
Weitere Namen anzeigen
CBDOTMCDC8H16O2TIMTEC-BB SBB008546Tetramethylcyclobutanediol1,1,3,3-Tetramethylcyclobutanediol
EC 221-140-0NSC-464739T56625HW32,2,4,4-Tetramethyl-1,3-cyclobutanediol,c&tRefChem:80863221-140-0812-914-4FQXGHZNSUOHCLO-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
2694-23-7、3010-96-6、3039-96-1- PubChem CID
- 76382
- DTXSID
DTXSID9044908- ChEMBL
CHEMBL3186932- UNII
- V3G697089H、V7WK40I307
- EC Number
- 221-140-0、812-914-4
- Nikkaji
- J1.038.568G、J205.311J、J610.608K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 115
Experimentelle und physikochemische Eigenschaften
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionOther Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 126 · 126-129 °C(lit.)
- Siedepunkt
- 210 · 210-215 °C(lit.)
- Dichte
- 1.017 · 1.017
- Dampfdruck
- 0.062 Pa · 0.062Pa at 20℃
- Brechungsindex
- 1.51 · 1.5100 (estimate)
- Flammpunkt
- 125 °F · 125 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H228 (25.9%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 158 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl- 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: 08-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11147
Hazard Classes and Categories
Flam. Sol. 1 (25.9%)
Flam. Sol. 1 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29061990
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 75,000,000 - <150,000,000 lb
Industry UsesMonomers
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-: ACTIVE
Anwendungen
Beschreibung2,2,4,4-tetramethyl-1,3-cyclobutanediol (CBDO) is a cyclic aliphatic diol monomer which is used to synthesize high-performance functionalized polyester materials as the alternative to traditional polycarbonate (PC) containing the poisonous bisphenol A. Additionally, incorporating CBDO compounds into the polyesters significantly improves the glass transition temperature of the materials and enhances their shock resistance. It also endows the polyesters with improved transparency, higher impact strength, higher melt viscosity and better toughness. To date, the major synthesis route to prepare CBDO is hydrogenation of 2,2,4,4-tetramethyl-1,3-cyclobutanedione (CBDK) in a dihydrogen atmosphere[1].
Verwenden2,2,4,4-Tetramethyl-1,3-cyclobutanediol was used in the preparation of Eastman Tritan copolyester.
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