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Showing Compound Polyvidone (FDB012017)

Record Information
Version1.0
Creation date2010-04-08 22:09:57 UTC
Update date2018-05-28 23:33:18 UTC
Primary IDFDB012017
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePolyvidone
DescriptionIt is used as a diluent in colour additive mixtures for marking food; in coatings on fresh citrus fruits; as a clarifying agent for beer, wine and vinegar; as a tableting adjuvant A cross-linked form of PVP is also used as a disintegrant (see also excipients) in pharmaceutical tablets. It is also known as cross-linked polyvinyl pyrrolidone, Polyvinyl Polypyrrolidone (PVPP), crospovidone, crospolividone. Basically, PVPP is a highly cross-linked version of PVP, which makes it insoluble in water but it still absorbs water and swells very rapidly and generate a swelling force. That is why it can be used a disintegrant in tablets. It is also used to bind impurities to remove them from solutions.It is also used as a fining to extract impurities (via agglomeration followed by filtration). Using the same principle it is used to remove polyphenols in beer production and thus clear beers with stable foam are produced. PVPP can be used as well as a drug taken as a tablet or suspension and it absorbs compounds (so called Endotoxins) causing diarrhoea. (Cf. bone char, charcoal.); As a food additive, PVP is a stabilizer and has E number E1201. PVPP is E1202. It is also used in the wine industry as a fining agent for white wine. Other references state that as polyvinyl pyrrolidone and its derivatives are fully from mineral synthetic origin. Therefore, its use in the production should not be a problem for vegans.; PVP is soluble in water and other polar solvents. In water it has the useful property of Newtonian viscosity. When dry it is a light flaky powder, which readily absorbs up to 40% of its weight in atmospheric water. In solution, it has excellent wetting properties and readily forms films. This makes it good as a coating or an additive to coatings.; PVP was first synthesized by Prof. Walter Reppe and a patent was filed in 1939 for one of the most interesting derivatives of acetylene chemistry. PVP was initially used as a blood plasma substitute and later in a wide variety of applications in medicine, pharmacy, cosmetics and industrial production.; Polyvinylpolypyrrolidone (PVPP, crospovidone) is a highly cross-linked modification of PVP.; Polyvinylpyrrolidone (PVP) is a water-soluble polymer made from the monomer N-vinylpyrrolidone:.
CAS Number9003-39-8
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility179 g/LALOGPS
logP-0.77ALOGPS
logP-1.4ChemAxon
logS0ALOGPS
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area20.31 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity43.21 m³·mol⁻¹ChemAxon
Polarizability16.67 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC6H13NOP2
IUPAC name1-(1,2-diphosphanylethyl)pyrrolidin-2-one
InChI IdentifierInChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2
InChI KeyLQIAZOCLNBBZQK-UHFFFAOYSA-N
Isomeric SMILESPCC(P)N1CCCC1=O
Average Molecular Weight177.121
Monoisotopic Molecular Weight177.047237067
Classification
Description Belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrrolidines
Sub ClassN-alkylpyrrolidines
Direct ParentN-alkylpyrrolidines
Alternative Parents
Substituents
  • Pyrrolidone
  • 2-pyrrolidone
  • N-alkylpyrrolidine
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Lactam
  • Carboxylic acid derivative
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organophosphorus compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Industrial application:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSPolyvidone, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0006-9500000000-a03b576f5815192ee7e5Spectrum
Predicted GC-MSPolyvidone, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPolyvidone, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-012deab505c817500d722017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000x-4900000000-27d3c90c48287687f7362017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9200000000-4e005207ebec5aa700582017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-20451f4214337e090de52017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004l-1900000000-23e2829b8da7d7deee292017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-053u-9000000000-6511800c7b4ed3f9571e2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-72ba633ad32f83af5c062021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-003r-0900000000-f07e0d7bb3148b0672242021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-5900000000-1f33078800397ac60ac12021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-ffea4601a1662a935d432021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-1900000000-5b780139fd398f54ac362021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-05nb-0900000000-9bba71bba8f6e3fafbcc2021-09-22View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6917
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33843
CRC / DFC (Dictionary of Food Compounds) IDHCP46-Z:HCP46-Z
EAFUS ID3102
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDPolyvidone
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference