1,4-Sorbitan
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1,4-Sorbitan
structure -
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CAS No:
27299-12-3
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Formula:
C6H12O5
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Chemical Name:
1,4-Sorbitan
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Synonyms:
D-Glucitol,1,4-anhydro-;Glucitol,1,4-anhydro-,D-;Arlitan;1,4-Anhydro-D-glucitol;1,4-Sorbitan;1,4-Anhydroglucitol;1,4-Anhydro-D-sorbitol;2109-61-7
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CAS No:
1,4-Sorbitan Basic Attributes
164.16
164.16
248-391-9
AV0YTZ4E6J|6O92ICV9RU
DTXSID00872901
2932190002
Characteristics
90.2
-2.1
1.573±0.06 g/cm3(Predicted)
115-116 °C @ Solvent: Isopropanol
Refrigerator
0mmHg at 25°C
Safety Information
UN 2811 6.1 / PGIII
Missing Phrase - N15.00950417-P305 + P351 + P338
H301-H319
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,4-Sorbitan Use and Manufacturing
A useful intermediate in Prostaglandin synthesis.
Sorbitan: ACTIVE
Computed Properties
Molecular Weight:164.16
XLogP3:-2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:164.06847348
Monoisotopic Mass:164.06847348
Topological Polar Surface Area:90.2
Heavy Atom Count:11
Complexity:128
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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