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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:44:48 UTC
Update Date2019-01-11 19:50:41 UTC
HMDB IDHMDB0035731
Secondary Accession Numbers
  • HMDB35731
Metabolite Identification
Common NameBoric acid (H3BO3)
DescriptionBoric acid (H3BO3) is found in fig. Boric acid (H3BO3) is a food contaminant deriving from paper and paperboard in contact with food. V. limited use as an antibacterial agent in cavia
Structure
Data?1547236241
Synonyms
ValueSource
[b(OH)3]ChEBI
b(OH)3ChEBI
Boron trihydroxideChEBI
H3BO3ChEBI
Orthoboric acidChEBI
bateGenerator
bic acidGenerator
OrthobateGenerator
Orthobic acidGenerator
(10b)Orthoboric acidHMDB
1332-77-0 (Di-potassium salt)HMDB
Acidum boricumHMDB
Ant flipHMDB
Basilit bHMDB
BluboroHMDB
Boracic acidHMDB
BorateHMDB
Borate (b4O7(2-))HMDB
boric acid (BH3O3)HMDB
boric acid (H310BO3)HMDB
boric acid (JP15/nf)HMDB
boric acid, AcsHMDB
BorofaxHMDB
Boron hydroxideHMDB
Collyrium eye washHMDB
Dr.'S 1 flea terminator DFHMDB
Dr.'S 1 flea terminator dfpboHMDB
Dr.'S 1 flea terminator DTHMDB
Dr.'S 1 flea terminator dtpboHMDB
Flea prufeHMDB
Heptaoxotetra-borate(2-)HMDB
Homberg'S saltHMDB
Hydrogen orthoborateHMDB
Kill-OFFHMDB
Kjel-sorbHMDB
Orthboric acidHMDB
Orthoboric acid (b(OH)3)HMDB
Orthoboric acid (H3bo3)HMDB
Super flea eliminatorHMDB
TetraborateHMDB
Three elephantHMDB
TrihydroxidoboronHMDB
TrihydroxyboraneHMDB
TrihydroxyboroneHMDB
Chemical FormulaBH3O3
Average Molecular Weight61.833
Monoisotopic Molecular Weight62.017524428
IUPAC Nameboric acid
Traditional Nameboric acid
CAS Registry Number10043-35-3
SMILES
OB(O)O
InChI Identifier
InChI=1S/BH3O3/c2-1(3)4/h2-4H
InChI KeyKGBXLFKZBHKPEV-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of inorganic compounds known as miscellaneous borates. These are inorganic compounds in which the largest metallic oxoanion is borate, to which either no atom or a non metal atom is bonded.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct ParentMiscellaneous borates
Alternative Parents
Substituents
  • Borate
  • Inorganic metalloid salt
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External Descriptors
Ontology
Physiological effect

Organoleptic effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point171 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility50 mg/mL at 25 °CNot Available
LogP0.18Not Available
Predicted Properties
PropertyValueSource
logP-0.51ChemAxon
pKa (Strongest Acidic)8.7ChemAxon
pKa (Strongest Basic)-5.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area60.69 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.69 m³·mol⁻¹ChemAxon
Polarizability5.15 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-bbc2ef0502723cb1626eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-677c9c32b74aec8966eaView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-b1e9faff0539b871c6d2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-62bf52315368ab01f8d0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-83fb7281cdb2fa8b9902View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-eb0715d970431bb2a1b3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-08dde90327520c636be4View in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014459
KNApSAcK IDNot Available
Chemspider ID7346
KEGG Compound IDC12486
BioCyc IDBORATE
BiGG IDNot Available
Wikipedia LinkBoric acid
METLIN IDNot Available
PubChem Compound7628
PDB IDBO3
ChEBI ID33118
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .