ContaminantDB: Disodium tetraborate, anhydrous

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2014-09-17 20:02:20 UTC

Update Date

2016-11-09 01:09:14 UTC

Accession Number

CHEM003905

Identification

Common Name

Disodium tetraborate, anhydrous

Class

Small Molecule

Description

Borax, also known as sodium borate, sodium tetraborate, or disodium tetraborate, has a wide variety of uses. It is a component of many detergents, cosmetics, and enamel glazes. It is also used to make buffer solutions in biochemistry, as a fire retardant, as an anti-fungal compound for fiberglass, as a flux in metallurgy, neutron-capture shields for radioactive sources, a texturing agent in cooking, and as a precursor for other boron compounds. In artisanal gold mining, the borax method is sometimes used as a substitute for toxic mercury in the gold extraction process. Borax, sodium tetraborate decahydrate, according to one study, is not acutely toxic. Sodium tetraborate decahydrate was once registered as an insecticide for a brief period, and the product was issued a "Danger" signal word by the EPA. Registration was allowed to lapse after the initial one year registration due to the fact the product could not be legally sold over the counter as an insecticide due to the dangers the product posed to the general public. Danger is the highest level signal word issued by the EPA. Its LD50 (median lethal dose) score is tested at 2.66 g/kg in rats: a significant dose of the chemical is needed to cause severe symptoms or death. The lethal dose is not necessarily the same for humans. Sufficient exposure to borax dust can cause respiratory and skin irritation. Ingestion may cause gastrointestinal distress including nausea, persistent vomiting, abdominal pain, and diarrhea. Effects on the vascular system and brain include headaches and lethargy, but are less frequent. "In severe poisonings, a beefy red skin rash affecting palms, soles, buttocks and scrotum has been described. With severe poisoning, erythematous and exfoliative rash, unconsciousness, respiratory depression, and renal failure." Borax was added to the Substance of Very High Concern (SVHC) candidate list on 16 December 2010. The SVHC candidate list is part of the EU Regulations on the Registration, Evaluation, Authorisation and Restriction of Chemicals 2006 (REACH), and the addition was based on the revised classification of borax as toxic for reproduction category 1B under the CLP Regulations. Substances and mixtures imported into the EU which contain borax are now required to be labelled with the warnings "May damage fertility" and "May damage the unborn child". (Wikipedia)

Contaminant Sources

EAFUS Chemicals
ECHA Toxic for reproduction
HPV EPA Chemicals
OECD HPV Chemicals
T3DB toxins

Contaminant Type

Cosmetic Toxin
Industrial/Workplace Toxin
Inorganic Compound
Insecticide
Pesticide
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Disodium bicyclo[3.3.1]tetraboroxane-3,7-bis(olic acid)	Generator
Sodium diborate	MeSH
Sodium tetraborate	MeSH
Disodium borate, monohydrate	MeSH
Sodium metaborate	MeSH
Disodium borate, heptahydrate	MeSH
Komex	MeSH
Sodium borate	MeSH
Sodium meta borate	MeSH
Monosodium metaborate	MeSH
Sodium borate (nabo2)	MeSH

Chemical Formula

B₄Na₂O₇

Average Molecular Mass

201.219 g/mol

Monoisotopic Mass

201.981 g/mol

CAS Registry Number

1303-96-4 and 1330-43-4 and 12179-04-3

IUPAC Name

disodium bicyclo[3.3.1]tetraboroxane-3,7-bis(olate)

Traditional Name

disodium bicyclo[3.3.1]tetraboroxane-3,7-bis(olate)

SMILES

[Na+].[Na+].[O-]B1OB2OB([O-])OB(O1)O2

InChI Identifier

InChI=1S/B4O7.2Na/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1

InChI Key

UQGFMSUEHSUPRD-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkali metal borates. These are inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal borates

Direct Parent

Alkali metal borates

Alternative Parents

Substituents

Borate
Alkali metal borate
Inorganic sodium salt
Inorganic oxide
Inorganic salt
Inorganic metalloid salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

Powdered borax is white, consisting of soft colorless crystals that dissolve easily in water.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	1.41	ChemAxon
pKa (Strongest Acidic)	3.34	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	104 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	44.93 m³·mol⁻¹	ChemAxon
Polarizability	11.53 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0090000000-89d75eccb0d5c687676b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0090000000-d67b53e737a4f2817c2d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-4090000000-cb876ca5e86588f3f600	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

Borax is a component of many detergents, cosmetics, and enamel glazes. It is also used to make buffer solutions in biochemistry, as a fire retardant, as an anti-fungal compound for fiberglass, as a flux in metallurgy, neutron-capture shields for radioactive sources, a texturing agent in cooking, and as a precursor for other boron compounds. In artisanal gold mining, the borax method is sometimes used as a substitute for toxic mercury in the gold extraction process.

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT002513

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

10219853

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Disodium tetraborate, anhydrous (CHEM003905)

Structure for CHEM003905: Disodium tetraborate, anhydrous