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Sorbitol

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C6H14O6 · 182.17 g/mol

IUPAC name: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol

Also called glucitol, D-sorbitol, E420, sugar alcohol, sorbol

Carbohydrates
Open in Athanor
The structure of Sorbitol
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
Synonyms
glucitol, D-sorbitol, E420
+ 39 more

sugar alcohol, sorbol, D-Sorbitol, D-Glucitol, Glucarine, (-)-Sorbitol, Nivitin, Sorbit, D-(-)-Sorbitol, Diakarmon, Sorbilande, Sorbostyl, Esasorb, Multitol, Neosorb, Sorbo, Sorbol, Cholaxine, Sionit, Sionite, Sionon, Siosan, Karion instant, Sorbitol F, Sorbex Rp, Sorbitol FP, D-Sorbol, Sionit K, Sorbex M, Sorbex R, Sorbex S, Sorbex X, Sorbicolan, Sorvilande, Gulitol, D-Sorbite, Neosorb P 60, Foodol D 70, Neosorb 20/60DC

Molecular formula
C6H14O6
Empirical formula
C3H7O3
Molecular weight
182.17 g/mol
Exact mass
182.07904
CAS number
50-70-4
PubChem CID
5780
Canonical SMILES
C(C(C(C(C(CO)O)O)O)O)O
Isomeric SMILES
C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
FBPFZTCFMRRESA-JGWLITMVSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity
Appearance
White crystalline powder[4]
6 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Sorbitol is an odorless colorless solid. Sinks and mixes with water. (USCG, 1999)[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–Large Crystals; Dry Powder; Dry Powder; Liquid; Liquid; Large Crystals; Wet Solid; Other Solid[2] EPA Chemical Data Reporting (CDR)
–WHITE HYGROSCOPIC SOLID IN VARIOUS FORMS.[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–White powder, as granules, or as crystalline masses[4] Hazardous Substances Data Bank (HSDB)cites FCC; Food Chemicals Codex. Committee on Food Chemicals Codex, Food and Nutrition Board, Institute of Medicine. 5th. Washington, DC: National Academy Press p. 443 (2003)
–shownWhite crystalline powder[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V3: 3292
–WHITE POWDER, GRANULES, OR FLAKES[4] Hazardous Substances Data Bank (HSDB)cites Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 1235
Odor
Odorless[4]
Melting point
110-112 °C[3]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
110 °C230 °F (USCG, 1999)[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
110 to 112 °Cshown110-112 °C[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Boiling point
Reported, but no value passed the checks.
The value and why
  • Very high (USCG, 1999) (could not be read; source [1])
Density
1.49 at 15 °C (59 °F) (USCG, 1999) - Denser than water[1]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
–shown1.49 at 59 °F (USCG, 1999) - Denser than water[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–1.5 g/cm³[3] ILO-WHO International Chemical Safety Cards (ICSCs)
Solubility in water
Solubility in water, g/100ml at 20 °C: 220[3]
3 values

From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.

ValueAs writtenSource
–In water, 6.9X10+5 mg/L at 20 °C[4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 336
–In water, 2.75X10+6 mg/L at 25 °C[4] Hazardous Substances Data Bank (HSDB)cites Mullin JW; pp 425-426 in Crystallisation, Book A. Cleveland, OH: CRC Press (1972)
–shownSolubility in water, g/100ml at 20 °C: 220[3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P
log Kow = -2.20[4]
2 values

2 of 2 sources agree on it (most common value).

ValueAs writtenSource
–shownlog Kow = -2.20[4] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994)
–-2.2[3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa
pKa = 13.57[4]
Flash point
283 °C (542 °F, USCG 1999)[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
12
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
6
H-bond acceptors
6
Rotatable bonds
5
TPSA (Ų)
121.4 computed here · PubChem 121
Formal charge
0
XLogP3
-3.1 PubChem
Complexity
105 PubChem
Stereocenters
4 definedCIP: C3: S · C5: R · C7: R · C9: R
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C39.56%
  • H7.75%
  • O52.69%

Isotope pattern

100%182.0796.9%183.0831.4%184.084

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-3.59 Crippen (Wildman and Crippen 1999)
log S (water solubility)
1.62 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.56 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 182.17
  • log P ≤ 5 (Crippen): -3.59
  • H-bond donors ≤ 5: 6
  • H-bond acceptors ≤ 10: 6

Breaks 1 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

This chemical does not meet GHS hazard criteria for 100% (1338 of 1338) of all reports.[5]

First aid

  • Only for burns caused by hot liquid. (USCG, 1999)[1]

Storage

  • The bulk material is hygroscopic and should be stored in an airtight container in a cool, dry place.[4]
  • Store in cool place. Keep container tightly closed in a dry and well-ventilated place.[4]

Incompatibilities

  • Materials to avoid: Strong oxidizing agents.[4]

Safety data sheets on the supplier’s page: Alfa Chemistry, Chemenu Inc., Combi-Blocks.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
  3. [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. [4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  5. [5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  6. [6]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  9. [9]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  10. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  11. ·Literature on PubChem

Data last updated 2026-10-14.