Sorbitan

Base Information

• Chemical Name: Sorbitan
• CAS No.: 100402-56-0
• Deprecated CAS: 27838-83-1,50975-62-7,1417403-40-7,40825-92-1,2109-61-7
• Molecular Formula: C6H12O5
• Molecular Weight: 164.16
• European Community (EC) Number: 248-391-9,235-671-0,309-491-9
• UNII: AV0YTZ4E6J
• DSSTox Substance ID: DTXSID20893390,DTXSID50893383
• Nikkaji Number: J17.068B
• Wikipedia: Sorbitan
• Wikidata: Q59951142
• NCI Thesaurus Code: C75651,C83509
• RXCUI: 1307571,1367146
• Metabolomics Workbench ID: 154883
• Mol file: 100402-56-0.mol

Synonyms:1,4-Anhydro-D-glucitol;27299-12-3;Sorbitan;1,4-Sorbitan;1,4-Anhydro-D-sorbitol;100402-56-0;UNII-AV0YTZ4E6J;AV0YTZ4E6J;UNII-6O92ICV9RU;(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol;EINECS 235-671-0;EINECS 248-391-9;EINECS 309-491-9;1,4-Anhydroglucitol;d-Glucose, ether with 1,4-anhydro-d-glucitol;D-Glucitol, anhydro-;1,4-anhydrosorbitol;Arlitan;SCHEMBL1386;6O92ICV9RU;D-Glucitol, 1,4-anhydro-;DTXSID20893390;DTXSID50893383;1,4-SORBITAN [USP-RS];JNYAEWCLZODPBN-JGWLITMVSA-N;AKOS006274480;AT36238;DB14474;CS-0208700;W-202151;Q59951142;(2R,3R,4S)-2-((R)-1,2-Dihydroxyethyl)tetrahydrofuran-3,4-diol;28218-56-6

Chemical Property of Sorbitan

Chemical Property:

• Melting Point: 112-113°C
• PSA: 90.15000
• LogP: -2.53980
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 164.06847348
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%Min ^*data from raw suppliers

1,4-Anhydro-D-glucitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(O1)C(CO)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O
• Uses: 1,4-anhydro-d-glucitol can act as a useful intermediate in Prostaglandin synthesis.