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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:44:48 UTC
Update Date2019-07-23 06:19:23 UTC
HMDB IDHMDB0035731
Secondary Accession Numbers
  • HMDB35731
Metabolite Identification
Common NameBoric acid (H3BO3)
DescriptionBoric acid (H3BO3), also known as [b(OH)3] or H3BO3, 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. Boric acid (H3BO3) is a drug. Boric acid (H3BO3) is an extremely weak basic (essentially neutral) compound (based on its pKa). Boric acid (H3BO3) exists in all living organisms, ranging from bacteria to humans. Outside of the human body, boric acid (H3bo3) is found, on average, in the highest concentration in pomegranates. boric acid (H3bo3) has also been detected, but not quantified in, a few different foods, such as figs, french plantains, and redcurrants. This could make boric acid (H3bo3) a potential biomarker for the consumption of these foods. It has limited use as an antibacterial agent in caviar. Boric acid (H3BO3) is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). Rinse mouth with water (never give anything by mouth to an unconscious person). INGESTION: do not induce vomiting. INHALATION: supply fresh air. Boric acid (H3BO3) also called hydrogen borate, boracic acid, Boric acid (H3BO3) is a weak acid of boron often used as an antiseptic, insecticide, flame retardant, neutron absorber, or precursor to other chemical compounds. When occurring as a mineral, it is called sassolite. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention.
Structure
Data?1563862762
Synonyms
ValueSource
[b(OH)3]ChEBI
b(OH)3ChEBI
Boron trihydroxideChEBI
H3BO3ChEBI
Orthoboric acidChEBI
OrthobateGenerator
Orthobic acidGenerator
bate (H3BO3)Generator
bic acid (H3BO3)Generator
bateHMDB
bic acidHMDB
(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
Boron oxide hydroxideMeSH
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
Description 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 salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-bbc2ef0502723cb1626eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-677c9c32b74aec8966eaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-b1e9faff0539b871c6d2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-62bf52315368ab01f8d0Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-83fb7281cdb2fa8b9902Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-eb0715d970431bb2a1b3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-08dde90327520c636be4Spectrum
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 IDDB11326
Phenol Explorer Compound IDNot Available
FooDB IDFDB014459
KNApSAcK IDNot Available
Chemspider ID7346
KEGG Compound IDC12486
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBoric acid
METLIN IDNot Available
PubChem Compound7628
PDB IDNot Available
ChEBI ID33118
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB ID
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.. .