Di(p-tolylidene)sorbitol
Grundinformationen
- CAS
54686-97-4- Standard-SMILES
Cc1ccc(C2OC[C@@H]([C@@H](O)[C@H](O)[C@H]3COC(c4ccc(C)cc4)O3)O2)cc1- InChIKey
LQAFKEDMOAMGAK-YYTYHAIYNA-N- Summenformel
- C22H26O6
- Durchschnittliche Molmasse
- 386,4 g/mol
- Monoisotopische Masse
- 386,17293854
Namen und Bezeichner
- Bevorzugter Name
- Di(p-tolylidene)sorbitol
- IUPAC
- (1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
- Englischer Name
- 1,3:2,4-Di-p-methylbenzylidene sorbitol
- Summenformel
- C22H26O6
- Molmasse
- 386.44
Namen und Synonyme
Di(p-tolylidene)sorbitolBis(p-methylbenzylidene)sorbitolDi-p-tolylidene sorbitol8BW8T2H5TXUNII-8BW8T2H5TXHB-2002D-Glucitol, bis-O-((4-methylphenyl)methylene)-D-Glucitol, bis-O-[(4-methylphenyl)methylene]-RefChem:200473dipmethylbenylidene sorbitolDTXSID401009875611-185-8
Weitere Namen anzeigen
JADEWIN-2IgraclearDMIRGACLEAR DMJADEADD 3940Thaclear 3940Nucleatingagent DY-2Nucleating Agent 3940Nucleaning Agent 3940DI(4-TOLYLIDENE)SORBITOL(1,3:2,4)-DIPARAMETHYLDIBENZ
54686-97-4SCHEMBL31618411(1S,2S)-1-[(4R)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]-2-[(4S)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]ethane-1,2-diolQ27270154
Datenbank-Bezeichner
- CAS
54686-97-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 77,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 441
Experimentelle und physikochemische Eigenschaften
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physikochemische Eigenschaften
- Schmelzpunkt
- 255 · 255-262°C
- Wasserlöslichkeit
- 0.01 g/100 · <0.01 g/100 mL at 20 ºC
- InChI
- InChI=1/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21,22/s3
- InChIKey
- LQAFKEDMOAMGAK-YYTYHAIYNA-N
- SMILES
- [C@]12([H])[C@]([H])(COC(C3C=CC(C)=CC=3)O1)OC(C1C=CC(C)=CC=1)O[C@]2([H])[C@@H](CO)O |&1:0,2,25,27,r|
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99% (104 of 105) of all reports.
Not Classified
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: D-Glucitol, bis-O-[(4-methylphenyl)methylene]-
D-Glucitol, bis-O-(4-methylphenyl)methylene-: 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 CategoriesNot Classified
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Anwendungen
Verwenden1,3:2,4-Di-p-methylbenyliedene Sorbitol can be used for printing ink compositions and coating.
Anbieter70 Anbieter
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