Showing Compound Boric acid (H3BO3) (FDB014459)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:17 UTC

Update date

2019-11-26 03:10:05 UTC

Primary ID

FDB014459

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Boric acid (H3BO3)

Description

Boric acid (H3BO3), also known as borate or [b(OH)3], 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 an extremely weak basic (essentially neutral) compound (based on its pKa). Boric acid (H3BO3) exists in all living organisms, ranging from bacteria to humans. 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. Boric acid (H3BO3) is a potentially toxic compound.

CAS Number

10043-35-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
[b(OH)3]	ChEBI
b(OH)3	ChEBI
Boron trihydroxide	ChEBI
H3BO3	ChEBI
Orthoboric acid	ChEBI
Orthobate	Generator
Orthobic acid	Generator
bate (H3BO3)	Generator
bic acid (H3BO3)	Generator
bate	HMDB
bic acid	HMDB
(10b)Orthoboric acid	HMDB
1332-77-0 (Di-potassium salt)	HMDB
Acidum boricum	HMDB
Ant flip	HMDB
Basilit b	HMDB
Bluboro	HMDB
Boracic acid	HMDB
Borate	HMDB
Borate (b4O7(2-))	HMDB
boric acid (BH3O3)	HMDB
boric acid (H310BO3)	HMDB
boric acid (JP15/nf)	HMDB
boric acid, Acs	HMDB
Borofax	HMDB
Boron hydroxide	HMDB
Collyrium eye wash	HMDB
Dr.'S 1 flea terminator DF	HMDB
Dr.'S 1 flea terminator dfpbo	HMDB
Dr.'S 1 flea terminator DT	HMDB
Dr.'S 1 flea terminator dtpbo	HMDB
Flea prufe	HMDB
Heptaoxotetra-borate(2-)	HMDB
Homberg'S salt	HMDB
Hydrogen orthoborate	HMDB
Kill-OFF	HMDB
Kjel-sorb	HMDB
Orthboric acid	HMDB
Orthoboric acid (b(OH)3)	HMDB
Orthoboric acid (H3bo3)	HMDB
Super flea eliminator	HMDB
Tetraborate	HMDB
Three elephant	HMDB
Trihydroxidoboron	HMDB
Trihydroxyborane	HMDB
Trihydroxyborone	HMDB
Boron oxide hydroxide	MeSH
(10B)Orthoboric acid	biospider
[B(OH)3]	biospider
1332-77-0 (di-potassium salt)	biospider
B(OH)3	biospider
Borate (B4O7(2-))	biospider
Borate(2-), heptaoxotetra-	biospider
bORIC ACID	ChEBI
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, acs	biospider
Dr.'s 1 Flea Terminator DF	biospider
Dr.'s 1 Flea Terminator DFPBO	biospider
Dr.'s 1 Flea Terminator DT	biospider
Dr.'s 1 Flea Terminator DTPBO	biospider
Homberg's salt	biospider
Kill-off	biospider
Orthoboric acid (B(OH)3)	biospider
Orthoboric acid (H3BO3)	biospider

Predicted Properties

Property	Value	Source
logP	-0.51	ChemAxon
pKa (Strongest Acidic)	8.7	ChemAxon
pKa (Strongest Basic)	-5.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	60.69 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	7.69 m³·mol⁻¹	ChemAxon
Polarizability	5.15 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Chemical Formula

BH3O3

IUPAC name

boric acid

InChI Identifier

InChI=1S/BH3O3/c2-1(3)4/h2-4H

InChI Key

KGBXLFKZBHKPEV-UHFFFAOYSA-N

Isomeric SMILES

OB(O)O

Average Molecular Weight

61.833

Monoisotopic Molecular Weight

62.017524428

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.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Miscellaneous mixed metal/non-metals

Sub Class

Miscellaneous metallic oxoanionic compounds

Direct Parent

Miscellaneous borates

Alternative Parents

Substituents

Borate
Inorganic salt
Inorganic metalloid salt

Molecular Framework

Not Available

External Descriptors

boric acids (CHEBI:33118 )
an anion (BORATE )

Ontology

Physiological effect

Organoleptic effect:

Taste:

Astringent

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Food

Biological:

Plant

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Industrial application:

Food and nutrition

Pharmaceutical industry:

Pharmaceutical

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	B 17.48%; H 4.89%; O 77.63%	DFC
Melting Point	Mp 171°	DFC
Boiling Point	Not Available
Experimental Water Solubility	50 mg/mL at 25 oC	SHIU,WY et al. (1990)
Experimental logP	0.18	WHO EHC 204 Boron
Experimental pKa	9.24
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-bbc2ef0502723cb1626e	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-677c9c32b74aec8966ea	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-b1e9faff0539b871c6d2	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-62bf52315368ab01f8d0	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-83fb7281cdb2fa8b9902	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-eb0715d970431bb2a1b3	JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-9000000000-08dde90327520c636be4	JSpectraViewer

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

33118

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB35731

CRC / DFC (Dictionary of Food Compounds) ID

JQX55-F:JQX55-F

EAFUS ID

354

Dr. Duke ID

BORIC-ACID

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

BO3

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Descriptor	ID	Definition	Reference
insecticide	24852	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

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).

Showing Compound Boric acid (H3BO3) (FDB014459)

Structure for FDB014459 (Boric acid (H3BO3))