ContaminantDB: Oleum (fuming sulfuric acid)

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

Record Information

Version

1.0

Creation Date

2016-05-19 01:46:05 UTC

Update Date

2016-11-09 01:09:21 UTC

Accession Number

CHEM004465

Identification

Common Name

Oleum (fuming sulfuric acid)

Class

Small Molecule

Description

Oleum (Latin oleum, meaning oil), or fuming sulfuric acid, is a term referring to solutions of various compositions of sulfur trioxide in sulfuric acid, or sometimes more specifically to disulfuric acid (also known as pyrosulfuric acid). Oleum is identified by the CAS number 8014-95-7 (EC/List number: 616-954-1 ; ECHA InfoCard: 100.116.872). Oleums cans be described by the formula ySO3.H2O where y is the total molar mass of sulfur trioxide contention pad. The value of y can be varied, to include different oleums. They can also be described by the formula H2SO4.xSO3 where x is now defined as the molar free sulfur trioxide content. Oleum is generally assessed according to the free SO3 content by mass. It can also be expressed as a percentage of sulfuric acid strength; for oleum concentrations, that would be over 100%. For example, 10% oleum can also be expressed as H2SO4.0.13611SO3, 1.0225SO3.H2O or 102.25% sulfuric acid. The conversion between % acid and % oleum is: % acid = 100 + 18/80 × % oleum A value for x of 1 gives the empirical formula H2S2O7 for disulfuric (pyrosulfuric) acid. Pure disulfuric acid is a solid at room temperature, melting at 36 °C and rarely used either in the laboratory or industrial processes.

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
OSHA Hazardous Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Fuming sulfate	Generator
Fuming sulphate	Generator
Fuming sulphuric acid	Generator

Chemical Formula

H₂O₇S₂

Average Molecular Mass

178.130 g/mol

Monoisotopic Mass

177.924 g/mol

CAS Registry Number

8014-95-7

IUPAC Name

sulfonylideneoxidane; sulfuric acid

Traditional Name

sulfur trioxide; sulfuric acid

SMILES

O=S(=O)=O.OS(O)(=O)=O

InChI Identifier

InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4);

InChI Key

HIFJUMGIHIZEPX-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.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal sulfates

Direct Parent

Non-metal sulfates

Alternative Parents

Substituents

Non-metal sulfate
Sulfuric acid
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

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

Not Available

Appearance

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	-0.84	ChemAxon
pKa (Strongest Acidic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	13.77 m³·mol⁻¹	ChemAxon
Polarizability	6.51 Å³	ChemAxon
Number of Rings	0	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	splash10-004i-0900000000-3163c6d936c9540f2789	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-0900000000-3163c6d936c9540f2789	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-0900000000-3163c6d936c9540f2789	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0900000000-1cd435d9e5593f916969	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0900000000-1cd435d9e5593f916969	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-0900000000-1cd435d9e5593f916969	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)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

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

Oleum

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

24681

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

Oleum (fuming sulfuric acid) (CHEM004465)

Structure for CHEM004465: Oleum (fuming sulfuric acid)