beta3,beta3,beta9,beta9-Tetramethyl-2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diethanol
Grundinformationen
- CAS
1455-42-1- Standard-SMILES
CC(C)(CO)C1OCC2(CO1)COC(C(C)(C)CO)OC2- InChIKey
BPZIYBJCZRUDEG-UHFFFAOYSA-N- Summenformel
- C15H28O6
- Durchschnittliche Molmasse
- 304,38 g/mol
- Monoisotopische Masse
- 304,18858861
Namen und Bezeichner
- Bevorzugter Name
- beta3,beta3,beta9,beta9-Tetramethyl-2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diethanol
- IUPAC
- 2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
- Englischer Name
- 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
- Summenformel
- C15H28O6
- Molmasse
- 304.38
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1455-42-1- PubChem CID
- 7569008
- DTXSID
DTXSID1075434- EC Number
- 485-230-3、604-479-2、932-643-6
- Nikkaji
- J40.646E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 77,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 301
Physikochemische Eigenschaften
- Schmelzpunkt
- 198 · 198-200°C
- Siedepunkt
- 434.2 · 434.2±40.0 °C(Predicted)
- Dichte
- 1.16 · 1.16
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- almost transparency in hot Methanol
- Aggregatzustand
- powder to crystal
- pka
- 14.38 · 14.38±0.10(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 168 mg/L · 168mg/L at 20℃
- BRN
- 1574570 · 1574570
- InChI
- InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3
- InChIKey
- BPZIYBJCZRUDEG-UHFFFAOYSA-N
- SMILES
- C12(COC(C(C)(C)CO)OC1)COC(C(C)(C)CO)OC2
- LogP
- 1.63 at · 1.63 at 30℃
- EPA chemische Informationen
- 2 · 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, .beta.,.beta.,.beta.',.beta.'-tetramethyl- (1455-42-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.;There are 0 notifications provided by 0 of 2 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.
Not Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 26-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13316
Hazard Classes and Categories
Not Classified
Not Classified
Regulatorische Informationen
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 26-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13316
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29329990
- safety_code
- 22-24/25
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