Canmetcon
Record Information
Version1.0
Creation date2010-04-08 22:11:58 UTC
Update date2015-07-20 23:20:25 UTC
Primary IDFDB015633
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCroscarmellose
DescriptionFood additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging Croscarmellose sodium also resolves formulators' concerns over long-term functional stability, reduced effectiveness at high tablet hardness levels, and similar problems associated with other products developed to enhance drug dissolution. Croscarmellose sodium is a very commonly used pharmaceutical additive approved by the U.S. Food and Drug Administration (FDA). Its purpose in most tablets - including dietary supplements - is to assist the tablet in disintegrating in the intestinal tract at the required location. If a tablet disintegrating agent is not included, the tablet could disintegrate too slowly, or in the wrong part of the intestine or not at all, thereby reducing the efficacy of the active ingredients.; Croscarmellose sodium is an internally cross-linked sodium carboxymethylcellulose for use as a disintegrant in pharmaceutical formulations.
CAS Number9000-11-06
Structure
Thumb
Synonyms
SynonymSource
CroscarmelloseKegg
CarboxymethylcelluloseKegg
CMCKegg
Intrasite gelKegg
AquacelMeSH
AquaplastMeSH
Carboxymethyl celluloseMeSH
Carboxymethylcellulose sodiumMeSH
Carboxymethylcellulose, sodiumMeSH
CellolaxMeSH
Cellulose, carboxymethylMeSH
CethyloseMeSH
Croscarmellose sodiumMeSH
PolycellMeSH
RuspolMeSH
Sodium carboxymethylcelluloseMeSH
Sodium, carboxymethylcelluloseMeSH
Sodium, carmelloseMeSH
Sodium, croscarmelloseMeSH
Carmellose sodiumMeSH
7H (carbohydrate)biospider
Acetic acid, hydroxy-, cellulose etherbiospider
Almelosebiospider
Apergelbiospider
Apeyelbiospider
Carbosebiospider
Carboximethylcellulosumbiospider
Carboxymethyl cellulose etherbiospider
Carboxymethylated cellulose pulpbiospider
Carboxymethylcellulose cellulose carboxymethyl etherbiospider
Carboxymethylcellulosumbiospider
Carmellosebiospider
Carmellose (JP15/INN)biospider
Carmellose gumdb_source
Carmellose, BANdb_source
Carmellosumbiospider
Carmelosabiospider
Cellulose carboxymethylatebiospider
Cellulose GUM 7Hbiospider
Cellulose, (carboxymethyl)biospider
Cellulose, carboxymethyl etherbiospider
Cellulose, ether with glycolic acidbiospider
Celluloseglycolic acidbiospider
CM-cellulosebiospider
CMC-4LFbiospider
Colloresinebiospider
Croscarmellose, BAN, INNdb_source
Croscarmellosumbiospider
Croscarmelosabiospider
Duodcelbiospider
E466db_source
FEMA 2239db_source
Glycocel tabiospider
Glycolic acid cellulose etherbiospider
KMTSbiospider
Thylosebiospider
Predicted Properties
PropertyValueSource
Water Solubility261 g/LALOGPS
logP-2.4ALOGPS
logP-3.6ChemAxon
logS0.16ALOGPS
pKa (Strongest Acidic)12.26ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.35 m³·mol⁻¹ChemAxon
Polarizability16.24 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC8H16O8
IUPAC name2,3,4,5,6-pentahydroxyhexanal; acetic acid
InChI IdentifierInChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)
InChI KeyVJHCJDRQFCCTHL-UHFFFAOYSA-N
Isomeric SMILESCC(O)=O.OCC(O)C(O)C(O)C(O)C=O
Average Molecular Weight240.208
Monoisotopic Molecular Weight240.084517475
Classification
DescriptionThis compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganooxygen compounds
ClassCarbohydrates and carbohydrate conjugates
Sub ClassMonosaccharides
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Medium-chain aldehyde
  • Beta-hydroxy aldehyde
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • 1,2-diol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Aldehyde
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 300°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0090000000-5937b95171d59bf4cd2eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0090000000-5937b95171d59bf4cd2eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0090000000-5937b95171d59bf4cd2eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0090000000-3b2eccb0be525bb07f81View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0090000000-3b2eccb0be525bb07f81View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0090000000-3b2eccb0be525bb07f81View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24748
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDBVM46-Z:KFJ44-V
EAFUS ID520
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1008421
SuperScent IDNot Available
Wikipedia IDCroscarmellose
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
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
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference