Record Information
Version1.0
Creation date2010-04-08 22:05:11 UTC
Update date2018-01-23 18:49:55 UTC
Primary IDFDB001982
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameD-Mannitol
DescriptionPermitted bulk sweetener for foods. Sweetening agent. Food additive, used as anticaking agent, lubricant, for stabiliser and thickener, and for other uses in food processing A diuretic and renal diagnostic aid related to sorbitol. It has little significant energy value as it is largely eliminated from the body before any metabolism can take place. It can be used to treat oliguria associated with kidney failure or other manifestations of inadequate renal function and has been used for determination of glomerular filtration rate. Mannitol is also commonly used as a research tool in cell biological studies, usually to control osmolarity.; Chemically, mannitol is an alcohol and a sugar, or a polyol; Mannitol is a non-permeating molecule i.e. it cannot cross biological membranes.; Mannitol is a sugar alcohol, that is, it is derived from a sugar by reduction. Other sugar alcohols include xylitol and sorbitol. Aqueous solutions of mannitol are mildly acidic and sometimes such solutions are treated to raise the pH. Chemical Abstracts Registry Numbers for mannitol are 123897-58-5, 69-65-8 (D-Mannitol), 75398-80-0, 85085-15-0, and 87-78-5 (mannitol with unspecified stereochemistry).; Mannitol is an organic compound with the formula (C6H8(OH)6). This polyol is used as an osmotic diuretic agent and a weak renal vasodilator. It was originally isolated from the secretions of the flowering ash, called manna after their resemblance to the Biblical food, and is also be referred to as mannite and manna sugar.; Mannitol or hexan-1,2,3,4,5,6-hexol (C6H8(OH)6) is an osmotic diuretic agent and a weak renal vasodilator. It is a sorbitol isomer.; it is similar to xylitol or sorbitol. However, mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this, it is not uncommon to add a substance to adjust its pH, such as sodium bicarbonate. D-Mannitol is found in many foods, some of which are agave, tronchuda cabbage, lupine, and apricot.
CAS Number69-65-8
Structure
Thumb
Synonyms
SynonymSource
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaolChEBI
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexolChEBI
1,2,3,4,5,6-HexanehexolHMDB
Cordycepatebiospider
Cordycepic aciddb_source
CPD without stereochemical designationbiospider
D-(-)-mannitolbiospider
D-mannitebiospider
DiosmolHMDB
DL-mannitolbiospider
e 421ChEBI
e-421ChEBI
E421db_source
HexahydroxyhexaneHMDB
Hexanhexolbiospider
Invenexbiospider
IsotolHMDB
ManicolHMDB
Manitadb_source
Maniton sbiospider
Maniton-SHMDB
Manna sugarChEBI
MannazuckerHMDB
Mannazucker (german)biospider
MannidexHMDB
MannigenHMDB
MannistolHMDB
MannitHMDB
Mannit pbiospider
ManniteChEBI
MannitolChEBI
Mannitol (van)biospider
Mannitol [usan]biospider
MANNITOL 10%biospider
MANNITOL 10% IN PLASTIC CONTAINERbiospider
MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATERbiospider
MANNITOL 15%biospider
MANNITOL 15% IN PLASTIC CONTAINERbiospider
MANNITOL 15% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.45%biospider
MANNITOL 20%biospider
MANNITOL 20% IN PLASTIC CONTAINERbiospider
MANNITOL 25%biospider
MANNITOL 5%biospider
MANNITOL 5% IN PLASTIC CONTAINERbiospider
MANNITOL 5% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.12%biospider
Mannogem 2080biospider
Marine crystalbiospider
MTLbiospider
Osmitroldb_source
OSMITROL 10% IN WATERbiospider
OSMITROL 10% IN WATER IN PLASTIC CONTAINERbiospider
OSMITROL 15% IN WATERbiospider
OSMITROL 15% IN WATER IN PLASTIC CONTAINERbiospider
OSMITROL 20% IN WATERbiospider
OSMITROL 20% IN WATER IN PLASTIC CONTAINERbiospider
OSMITROL 5% IN WATERbiospider
OSMITROL 5% IN WATER IN PLASTIC CONTAINERbiospider
Osmofundinbiospider
OsmosalHMDB
Resectisoldb_source
Resectisol in plastic containerbiospider
SDM No. 35biospider
Sorbitol-mannitolbiospider
Sorbitol-mannitol in plastic containerbiospider
Predicted Properties
PropertyValueSource
Water Solubility229 g/LALOGPS
logP-2.7ALOGPS
logP-3.7ChemAxon
logS0.1ALOGPS
pKa (Strongest Acidic)12.59ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.4 m³·mol⁻¹ChemAxon
Polarizability16.96 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H14O6
IUPAC namehexane-1,2,3,4,5,6-hexol
InChI IdentifierInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
InChI KeyFBPFZTCFMRRESA-UHFFFAOYSA-N
Isomeric SMILESOCC(O)C(O)C(O)C(O)CO
Average Molecular Weight182.1718
Monoisotopic Molecular Weight182.07903818
Classification
DescriptionThis compound belongs to the class of chemical entities known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic oxygen compounds
Sub ClassOrganooxygen compounds
Direct ParentSugar alcohols
Alternative Parents
Substituents
  • Sugar alcohol
  • Monosaccharide
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 39.56%; H 7.75%; O 52.70%DFC
Melting PointMp 166°DFC
Boiling PointBp3.5 295°DFC
Experimental Water Solubility216 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP-3.10HANSCH,C ET AL. (1995)
Experimental pKapKa1 13.29 (25°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]25D +28.61 (c, 10 in 12.8% borax aq.)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-2900000000-ef92b9091ecf5d15cdeeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9200000000-c5d221c83fe92a223066View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03dl-9100000000-1004cdc33fd7fa2a461aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-2900000000-ef92b9091ecf5d15cdeeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9200000000-c5d221c83fe92a223066View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03dl-9100000000-1004cdc33fd7fa2a461aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-2900000000-ef92b9091ecf5d15cdeeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9200000000-c5d221c83fe92a223066View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03dl-9100000000-1004cdc33fd7fa2a461aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-07ju-7900000000-2c69fe75b270954e890bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-06y6-9200000000-28c0b3b2a937cadbdb36View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0btc-9000000000-c540d295ae46b6104610View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-07ju-7900000000-2c69fe75b270954e890bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-06y6-9200000000-28c0b3b2a937cadbdb36View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0btc-9000000000-c540d295ae46b6104610View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-07ju-7900000000-2c69fe75b270954e890bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-06y6-9200000000-28c0b3b2a937cadbdb36View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0btc-9000000000-c540d295ae46b6104610View in MoNA
MSMass Spectrum (Electron Ionization)splash10-00di-9000000000-d5db4fbf6c1eb9dd3564View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider ID6015
ChEMBL IDCHEMBL689
KEGG Compound IDC00392
Pubchem Compound ID6251
Pubchem Substance IDNot Available
ChEBI ID16899
Phenol-Explorer IDNot Available
DrugBank IDDB00742
HMDB IDHMDB00765
CRC / DFC (Dictionary of Food Compounds) IDCBW83-H:CBW84-I
EAFUS ID2114
Dr. Duke IDD-MANNITOL|MANNITOL
BIGG IDNot Available
KNApSAcK IDC00001165
HET IDMTL
Flavornet IDNot Available
GoodScent IDrw1030941
SuperScent IDNot Available
Wikipedia IDMannitol
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
allergenic50904 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.DUKE
analgesic35480 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.DUKE
anti helmintic33281 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.DUKE
anti glaucomicDUKE
anti inflammatory35472 A substance that reduces or suppresses inflammation.DUKE
anti mutagenicDUKE
anti nephritic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
antioxidant22586 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.DUKE
anti radicularDUKE
anti Reye's52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti spasmodic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
diuretic35498 An agent that promotes the excretion of urine through its effects on kidney function.DUKE
emeticDUKE
flatugenicDUKE
laxative50503 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.DUKE
nephrotoxic50909 A role played by a chemical compound exihibiting itself through the ability to induce damage to the kidney in animals.DUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
sweetener50505 Substance that sweeten food, beverages, medications, etc.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.