Sulfuric acid (T3D5000)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationXML
Record Information
Version2.0
Creation Date2014-10-15 22:10:18 UTC
Update Date2014-12-24 20:27:02 UTC
Accession NumberT3D5000
Identification
Common NameSulfuric acid
ClassSmall Molecule
DescriptionSulfuric acid is a highly corrosive strong mineral acid with the molecular formula H2SO4. It is a pungent-ethereal, colorless to slightly yellow viscous liquid which is soluble in water at all concentrations. Sometimes, it is dyed dark brown during production to alert people to its hazards. The historical name of this acid is oil of vitriol. Concentrated sulfuric acid is 98% pure and shows different properties depending upon its concentration. For instance battery acid is 30% sulfuric acid. Because the hydration reaction of sulfuric acid is highly exothermic, dilution should always be performed by adding the acid to the water rather than the water to the acid. Pure sulfuric acid is not encountered naturally on Earth in its anhydrous form, due to its great affinity for water. Dilute sulfuric acid is a constituent of acid rain, which is formed by atmospheric oxidation of sulfur dioxide in the presence of water – i.e., oxidation of sulfurous acid. Sulfur dioxide is the main byproduct produced when sulfur-containing fuels such as coal or oil are burned. Most sulfuric acid (~60%) is consumed for fertilizers, particularly superphosphates, ammonium phosphate and ammonium sulfates. About 20% is used in chemical industry for production of detergents, synthetic resins, dyestuffs, pharmaceuticals, petroleum catalysts, insecticides and antifreeze, as well as in various processes such as oil well acidicizing, aluminium reduction, paper sizing, water treatment.
Compound Type
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metabolite
  • Natural Compound
  • Non-Metal
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Sulfurate
Sulphurate
Sulphuric acid
[S(OH)2O2]
[SO2(OH)2],H2SO4
Chemical FormulaH2O4S
Average Molecular Mass98.078 g/mol
Monoisotopic Mass97.967 g/mol
CAS Registry Number7664-93-9
IUPAC Namesulfuric acid
Traditional Namesulfuric acid
SMILESOS(O)(=O)=O
InChI IdentifierInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChI KeyInChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal sulfates. These are inorganic non-metallic compounds containing a sulfate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal sulfates
Direct ParentNon-metal sulfates
Alternative Parents
Substituents
  • Non-metal sulfate
  • Sulfuric acid
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cell surface
  • Cytosol
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
PhenothiazinesNot AvailableNot Available
PenicillinsNot AvailableNot Available
EicosanoidsNot AvailableNot Available
Cell cycleNot Availablemap04110
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateLiquid
AppearanceClear, colorless, odorless liquid. Sometimes, it is dyed dark brown during production to alert people to its hazards.
Experimental Properties
PropertyValue
Melting Point10 °C
Boiling Point337 °C
SolubilityMiscible
LogPNot Available
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.77 m³·mol⁻¹ChemAxon
Polarizability6.51 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-004i-1890000000-89f0078b967c00a9a9ed2014-06-16View Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0900000000-43f1b52f911b4e214ac82017-09-12View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-03l0-0000003590-05f671599375cad4490e2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-01q9-0094000000-638107eff1cc6b910ae42017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0010930000-ef387cb422577990b2112017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0010930000-ce19e55452eca838abd02017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-004i-0000000090-2a1bc5a702132cc43db42017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0uxr-0000000429-5a2d4fe6a3661daf3d2f2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-03di-0000000090-1ce41ca8d23b682cdc602017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001i-0000091000-4291e93a03097c9e6a8d2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001i-0000090000-f2f5721c575841dbe41c2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-00di-0032980000-5028b995fe7cea85abe42017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0fk9-0022790000-a58b313e3b16cc52d2c92017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001u-0024792000-6f97ddc5564176d44e952017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-053u-0034791000-7509a00499854c6624d62017-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-5d2aa2f6bf0f4eb4ec932015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-833643e7253228fece132015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000t-9000000000-ccb25da888fc7bae01492015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-7dcf31e8c0a2e5fb7ac02015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-f2946b7bd5a78d7e9ef82015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-f2946b7bd5a78d7e9ef82015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-ae8ce07ad2ae7c39fea52021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000t-9000000000-3085fc92f071a78071502021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-ed3dc6b35f668f33ae1c2021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-b427a7756f10c58e23532021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-b427a7756f10c58e23532021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-b427a7756f10c58e23532021-09-22View Spectrum
Toxicity Profile
Route of ExposureInhalation; Ingestion; Dermal; Eyes
Mechanism of ToxicityMany strong acids cause tissue burns through the denaturation of proteins and partial hydrolysis of proteins. Most proteins denature at pH values of less than 3-4. The large-scale denaturation of proteins, de-esterification of lipids and subsequent desiccation of tissues leads to chemical burns. Symptoms include itching, bleaching or darkening of skin or tissues, blistering and burning sensations. More specifically, sulfuric acid readily decomposes proteins and lipids through amide hydrolysis and ester hydrolysis upon contact with living tissues. In addition, it exhibits a strong dehydrating property on carbohydrates, liberating extra heat and causing secondary thermal burns. The strong oxidizing property may also extend its corrosiveness on the tissue. Because of such reasons, damage posed by sulfuric acid is potentially more severe than that caused by other comparable strong acids, such as hydrochloric acid and nitric acid.
MetabolismNot Available
Toxicity ValuesLD50: 2140 mg/kg (Oral, rat); LC50: 25 mg/m3 (Inhalation, rat)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Occupational exposures to strong inorganic acid mists containing sulfuric acid are carcinogenic to humans (Group 1). (1)
Uses/SourcesSulfuric acid is found naturally in acid rain or rainwater near industrial sites. Most sulfuric acid (~60%) is consumed for fertilizers, particularly superphosphates, ammonium phosphate and ammonium sulfates. About 20% is used in chemical industry for production of detergents, synthetic resins, dyestuffs, pharmaceuticals, petroleum catalysts, insecticides and antifreeze, as well as in various processes such as oil well acidicizing, aluminium reduction, paper sizing, water treatment.
Minimum Risk LevelThe limit of exposure of sulfuric acid is fixed at 1 mg/m3.
Health EffectsSulfuric acid at a high concentration can cause very serious damage upon contact, as it not only causes chemical burns via hydrolysis, but also secondary thermal burns via dehydration. It burns the cornea and can lead to permanent blindness if splashed onto eyes. Accordingly, it rapidly attacks the cornea and can induce permanent blindness if splashed onto eyes. If ingested, it damages internal organs irreversibly and may even be fatal. Inhalation of sulfuric acid spray mist may produce severe irritation of respiratory tract, characterized by coughing, choking, or shortness of breath. Sulfuric acid is also a known carcinogen. Sulfuric acid may be toxic to kidneys, lungs, heart, cardiovascular system, upper respiratory tract, eyes and teeth.
SymptomsSkin contact can cause redness, pain, blisters and severe skin burns. Sulfuric acid may cause severe burns to the eye and permanent eye damage. Severe and rapid corrosive burns of the mouth, gullet and gastrointestinal tract will result if sulfuric acid is swallowed. Symptoms include burning, choking, nausea, vomiting and severe pain.
TreatmentThe mainstay of treatment of any acid burn is copious irrigation with large amounts of tap water. To be most effective, treatment should be started immediately after exposure, preferably before arrival in the emergency department. Remove any contaminated clothing. Do not attempt to neutralize the burn with weak reciprocal chemicals (i.e. alkali for acid burns), because the heat generated from the chemical reaction may cause severe thermal injury.
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB32444
PubChem Compound ID1118
ChEMBL IDCHEMBL572964
ChemSpider ID1086
KEGG IDC00059
UniProt IDNot Available
OMIM ID
ChEBI ID26836
BioCyc IDNot Available
CTD IDNot Available
Stitch IDNot Available
PDB IDNot Available
ACToR IDNot Available
Wikipedia LinkSulfuric acid
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available