MANNITOL
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | D-MANNITOL |
| CAS number: | 69-65-8 |
| INS: | 421 |
| Functional Class: |
Food Additives STABILIZER HUMECTANT THICKENER SWEETENER TEXTURIZER BULKING_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 1986 |
| ADI: | NOT SPECIFIED |
| Meeting: | 46 |
| Specs Code: | R (1996) |
| Report: | TRS 751-JECFA 30/25 |
| Tox Monograph: | FAS 21-JECFA 30/123 |
| Specification: | COMPENDIUM ADDENDUM 9/FNP 52 Add.9/192 (METALS LIMITS) (2001). R; FAO JECFA Monographs 1 vol.2/339 |
From apps.who.int
GSFA Provisions for MANNITOL
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 09.2.4.1 | Cooked fish and fish products |
GMP | Note 241 |
| 06.4.2 | Dried pastas and noodles and like products |
GMP | Note 256 |
| 08.1.2 | Fresh meat, poultry, and game, comminuted |
GMP | Note 281 |
| 08.1.1 | Fresh meat, poultry, and game, whole pieces or cuts |
GMP | Note 16,Note 326 |
| 09.2.4.3 | Fried fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 41 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS166 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS292,Note XS190,Note XS95,Note XS165,Note XS191,Note XS312,Note XS92,Note XS315,Note XS36 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
GMP | Note 258 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 300 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 6251 |
| IUPAC Name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol |
| 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 |
| InChI Key | FBPFZTCFMRRESA-KVTDHHQDSA-N |
| Canonical SMILES | C(C(C(C(C(CO)O)O)O)O)O |
| Molecular Formula | C6H14O6 |
| Wikipedia | mannitol |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 182.172 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Complexity | 105.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B g O A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I A A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A B E A I A A A A A Q A A F A A A B A A H A Y A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 121.0 |
| Monoisotopic Mass | 182.079 |
| Exact Mass | 182.079 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
Food Additives Biosynthesis/Degradation
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB- | 0.5997 |
| Human Intestinal Absorption | HIA+ | 0.6525 |
| Caco-2 Permeability | Caco2- | 0.8958 |
| P-glycoprotein Substrate | Non-substrate | 0.6620 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9535 |
| Non-inhibitor | 0.9551 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9252 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.5618 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8706 |
| CYP450 2D6 Substrate | Non-substrate | 0.8780 |
| CYP450 3A4 Substrate | Non-substrate | 0.7431 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8240 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9419 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9412 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9232 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9402 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9580 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9709 |
| Non-inhibitor | 0.9329 | |
| AMES Toxicity | Non AMES toxic | 0.9132 |
| Carcinogens | Non-carcinogens | 0.7823 |
| Fish Toxicity | Low FHMT | 0.9260 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.9924 |
| Honey Bee Toxicity | High HBT | 0.6756 |
| Biodegradation | Ready biodegradable | 0.8595 |
| Acute Oral Toxicity | IV | 0.6451 |
| Carcinogenicity (Three-class) | Non-required | 0.6932 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | 1.0329 | LogS |
| Caco-2 Permeability | -0.3908 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.1260 | LD50, mol/kg |
| Fish Toxicity | 3.1559 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -1.9267 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar alcohols |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sugar alcohol - Monosaccharide - Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds 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. |
From ClassyFire