Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2015-07-20 23:17:32 UTC
Primary IDFDB015387
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDisodium tetraborate
DescriptionListed in the EAFUS Food Additive Database (Jan. 2001) but with no reported use
CAS Number1330-43-4
Structure
Thumb
Synonyms
SynonymSource
4-n-Octylbenzoic acidbiospider
4-octylbenzoic Acidbiospider
Anhydrous boraxdb_source
Antipyoninumbiospider
Benzoic acid, 4-octyl-biospider
Benzoic acid, p-octyl-biospider
Borates, tetra, sodium salts, anhydrousbiospider
Borates, tetrasodium salts, anhydrousbiospider
Borax (B4Na2O7), 10CIdb_source
Borax glassbiospider
Borax, anhydrousbiospider
Borax, dehydratedbiospider
Borax, fuseddb_source
Boric acid (H2B4O7) , disodium saltbiospider
Boric acid (H2B4O7) , sodium saltbiospider
Boric acid (H2B4O7), disodium saltbiospider
Boric acid, disodium saltbiospider
Boric acid, disodium salt, 8CIdb_source
Boron sodium oxidebiospider
Boron sodium oxide (B4Na2O7)biospider
Boron sodium oxide (B4Na2O7), 10CIdb_source
Dehyborbiospider
Disodium tetraboratebiospider
Disodium tetraborate, anhydrousbiospider
Fused boraxbiospider
Fused sodium boratebiospider
P-n-octyl benzoic acidbiospider
P-octylbenzoic acidbiospider
Para-octylbenzoic acidbiospider
Rasorite 65biospider
Sodium biboratebiospider
Sodium boratebiospider
Sodium borate anhydrousbiospider
Sodium borate, anhydrousbiospider
Sodium boron oxidebiospider
Sodium pyroboratebiospider
Sodium tetraborate (Na2B4O7)biospider
Soluborbiospider
Predicted Properties
PropertyValueSource
logP3.44ChemAxon
pKa (Strongest Acidic)8.19ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area107.95 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity9.82 m³·mol⁻¹ChemAxon
Polarizability12.42 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaB4Na2O7
IUPAC namedisodium oxoboranyl [(oxoboranyl boronato)oxy]boronate
InChI IdentifierInChI=1S/B4O7.2Na/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1
InChI KeyRPAYJVFLNVKVRS-UHFFFAOYSA-N
Isomeric SMILES[Na+].[Na+].[O-]B(OB=O)OB([O-])OB=O
Average Molecular Weight201.219
Monoisotopic Molecular Weight201.981163568
Classification
ClassificationNot classified
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionB 21.49%; Na 22.85%; O 55.66%DFC
Melting PointMp 663° (g-form)DFC
Boiling PointBp 1575°DFC
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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-3090000000-2a0aa44fe2b9e98ed5702019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0uy3-9550000000-814273e860436194555e2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014l-9000000000-090de2063169de3d481d2019-02-23View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID19147
Pubchem Substance IDNot Available
ChEBI ID38892
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBQ15-U:KBQ15-U
EAFUS IDNot Available
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 IDNot Available
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference