Record Information
Version1.0
Creation date2010-04-08 22:11:17 UTC
Update date2018-05-28 19:24:31 UTC
Primary IDFDB014459
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameBoric acid (H3BO3)
DescriptionFood contaminant deriving from paper and paperboard in contact with food. V. limited use as an antibacterial agent in caviar. Boric acid (H3BO3) is found in many foods, some of which are pomegranate, fig, french plantain, and redcurrant.
CAS Number10043-35-3
Structure
Thumb
Synonyms
SynonymSource
[b(OH)3]ChEBI
b(OH)3ChEBI
Boron trihydroxideChEBI
H3BO3ChEBI
Orthoboric acidChEBI
OrthobateGenerator
Orthobic acidGenerator
bateGenerator
bic 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
Boron oxide hydroxideMeSH
(10B)Orthoboric acidbiospider
[B(OH)3]biospider
1332-77-0 (di-potassium salt)biospider
B(OH)3biospider
Borate (B4O7(2-))biospider
Borate(2-), heptaoxotetra-biospider
bORIC ACIDChEBI
Boric acid (BH3O3)biospider
Boric acid (H310BO3)biospider
Boric acid (JP15/NF)biospider
Boric acid (TN)biospider
Boric acid (van)biospider
Boric acid [usan:jan]biospider
Boric acid, acsbiospider
Dr.'s 1 Flea Terminator DFbiospider
Dr.'s 1 Flea Terminator DFPBObiospider
Dr.'s 1 Flea Terminator DTbiospider
Dr.'s 1 Flea Terminator DTPBObiospider
Homberg's saltbiospider
Kill-offbiospider
Orthoboric acid (B(OH)3)biospider
Orthoboric acid (H3BO3)biospider
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
Chemical FormulaBH3O3
IUPAC nameboric acid
InChI IdentifierInChI=1S/BH3O3/c2-1(3)4/h2-4H
InChI KeyKGBXLFKZBHKPEV-UHFFFAOYSA-N
Isomeric SMILESOB(O)O
Average Molecular Weight61.833
Monoisotopic Molecular Weight62.017524428
Classification
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
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionB 17.48%; H 4.89%; O 77.63%DFC
Melting PointMp 171°DFC
Boiling PointNot Available
Experimental Water Solubility50 mg/mL at 25 oCSHIU,WY et al. (1990)
Experimental logP0.18WHO EHC 204 Boron
Experimental pKa9.24
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
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
ChemSpider ID7346
ChEMBL IDCHEMBL42403
KEGG Compound IDC12486
Pubchem Compound ID7628
Pubchem Substance IDNot Available
ChEBI ID33118
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35731
CRC / DFC (Dictionary of Food Compounds) IDJQX55-F:JQX55-F
EAFUS ID354
Dr. Duke IDBORIC-ACID
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDBO3
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 / Bioactivities
DescriptorIDDefinitionReference
insecticide24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).