Di-p-methylbenzylidenesorbitol

Base Information

• Chemical Name: Di-p-methylbenzylidenesorbitol
• CAS No.: 54686-97-4
• Deprecated CAS: 197809-37-3,403842-47-7,1171816-78-6,568597-43-3,873937-25-8,1382600-44-3
• Molecular Formula: C22H26O6
• Molecular Weight: 386.44
• European Community (EC) Number: 611-185-8,617-241-8
• UNII: 00YK2U88F9
• DSSTox Substance ID: DTXSID3051381
• Nikkaji Number: J1.001.890K
• Wikidata: Q27231383
• ChEMBL ID: CHEMBL3561699
• Mol file: 54686-97-4.mol

Synonyms:Di-p-methylbenzylidenesorbitol;1,3:2,4-Di-p-methylbenyliedene sorbitol;54686-97-4;Gel All MD;00YK2U88F9;81541-12-0;UNII-00YK2U88F9;D-Glucitol, 1,3:2,4-bis-O-((4-methylphenyl)methylene)-;DTXSID3051381;IRGACLEAR DM;LS-181723;GEL ALL MD-LM30G;NC-6;SCHEMBL1966771;CHEMBL3561699;DTXCID4029983;NA-98;Tox21_303848;MFCD09038710;AKOS025310974;NCGC00356948-01;(1R)-1-[(4R,4aR,8aS)-2,6-bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol;AS-15395;1,3:2,4-bis(p-methylbenzylidene)sorbitol;CAS-81541-12-0;1,3:2,4-bis-o-(4-methylbenzylidene)sorbitol;A830320;Q27231383;1,3:2,4-bis-O-[(4-methylphenyl)methylene]-D-glucitol;197809-37-3

Chemical Property of Di-p-methylbenzylidenesorbitol

Chemical Property:

• Melting Point: 255-262 °C
• Boiling Point: 602.853 °C at 760 mmHg
• Flash Point: 275.67 °C
• PSA: 77.38000
• Density: 1.516 g/cm³
• LogP: 2.55340
• Water Solubility.: <0.01 g/100 mL at 20℃
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 386.17293854
• Heavy Atom Count: 28
• Complexity: 485

Purity/Quality:

98% ^*data from raw suppliers

1,3:2,4-Di-p-methylbenzylidene sorbitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)C)C(CO)O
• Isomeric SMILES: CC1=CC=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC=C(C=C4)C)[C@@H](CO)O
• Uses: 1,3:2,4-Di-p-methylbenyliedene Sorbitol can be used for printing ink compositions and coating.