Mannitol (C6H14O6): structure, properties and hazards

Names and identifiers

IUPAC name: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
Synonyms: D-mannitol, E421, Osmitrol
+ 37 more
manna sugar, Mannite, Manna sugar, Cordycepic acid, Diosmol, Resectisol, Mannidex, Mannigen, Osmosal, Mannit, D-(-)-Mannitol, Mannazucker, Mannistol, Invenex, Isotol, Mannitol, D-, Marine Crystal, Maniton-S, Mannogem 2080, Bronchitol, (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol, (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol, Mannitol 5%, Aridol, Mannitol 10%, Mannitol 15%, Mannitol 20%, Osmitrol 5% In Water, Osmitrol 10% In Water, Osmitrol 15% In Water, Osmitrol 20% In Water, MANNITOL 25%, Resectisol In Plastic Container, DTXSID1023235, Mannitol (USP), Mannitol 5% In Plastic Container, NCI-C50362
Molecular formula: C₆H₁₄O₆
Empirical formula: C₃H₇O₃
Molecular weight: 182.17 g/mol
Exact mass: 182.07904
CAS number: 69-65-8
PubChem CID: 6251
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-KVTDHHQDSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: D-mannitol appears as odorless white crystalline powder or free-flowing granules. Sweet taste. (NTP, 1992)[1]
3 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source
–shown D-mannitol appears as odorless white crystalline powder or free-flowing granules. Sweet taste. (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– Dry Powder [2] EPA Chemical Data Reporting (CDR)
– WHITE, CRYSTALLINE POWDER OR FREE FLOWING GRANULES [3] Hazardous Substances Data Bank (HSDB)cites Osol, A. (ed.). Remington's Pharmaceutical Sciences. 16th ed. Easton, Pennsylvania: Mack Publishing Co., 1980., p. 875
Odor: Odorless[3]
Melting point: 166 to 168 °C (331 to 334 °F, NTP 1992)[1]
Boiling point: 295 °C (563 °F) at 3.5 mmHg (NTP, 1992)[1]
Density: 1.489 at 20 °C (68 °F) (NTP, 1992) - Denser than water[1]
Solubility in water: In water, 2.16 × 10⁵ mg/l @ 25 °C[3]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–shown In water, 2.16X10+5 mg/l @ 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)
log P: log Kow = -3.10[3]
Flash point: greater than 149 °C (300 °F, NTP 1992)[1]

Value	As written	Source
–shown	D-mannitol appears as odorless white crystalline powder or free-flowing granules. Sweet taste. (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	WHITE, CRYSTALLINE POWDER OR FREE FLOWING GRANULES	[3] Hazardous Substances Data Bank (HSDB)cites Osol, A. (ed.). Remington's Pharmaceutical Sciences. 16th ed. Easton, Pennsylvania: Mack Publishing Co., 1980., p. 875

Value	As written	Source
–	greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–shown	In water, 2.16X10+5 mg/l @ 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)

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 (Å²): 121.4 computed here · PubChem 121
Formal charge: 0
XLogP3: -3.1 PubChem
Complexity: 105 PubChem
Stereocenters: 4 definedCIP: C3: R · 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

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 > 99.9% (1450 of 1451) of all reports.[4]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]

Storage

Mannitol solutions should be stored at room temperature and protected from freezing.[3]

Incompatibilities

It has been stated that mannitol is incompatible in strongly acidic and alkaline solutions.[3]

Safety data sheets on the supplier’s page: LGC Standards, Alfa Chemistry, BOC Sciences.

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

Data last updated 2026-10-14.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.

Isomers in the library

Sorbitol