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Sulfur and phosphorus compounds

Pyrocatechol sulfate

Also known as (2-hydroxyphenyl)oxidanesulfonic acid, (2-hydroxyphenyl) hydrogen sulfate, 2-hydroxyphenyl hydrogen sulfate

CAS 4918-96-1Formula C6H6O5SMolar mass 190.18 g/molEC 112-268-7
GHS signal word: Warning. Pictograms: Harmful or irritant
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Pyrocatechol sulfate chemical structure, C6H6O5S, CAS 4918-96-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4918-96-1
Formula
C6H6O5S
Molar mass
190.18 g/mol
EC number
112-268-7
HS code
292090
Category
Sulfur and phosphorus compounds

What is Pyrocatechol sulfate?

Plain description, key identifiers and synonyms

Pyrocatechol sulfate is an aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group. It has a role as a xenobiotic. It is a member of phenols and an aryl sulfate. It is functionally related to a catechol. It is a conjugate acid of a pyrocatechol sulfate(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2-hydroxyphenyl) hydrogen sulfate
CAS number
4918-96-1 CAS number cross-checked
EC number
112-268-7
Molecular formula
C6H6O5S
InChIKey
MZPWKJZDOCIALD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
SMILES (canonical and isomeric)
C1=CC=C(C(=C1)O)OS(=O)(=O)O

Synonyms

  • (2-hydroxyphenyl)oxidanesulfonic acid
  • (2-hydroxyphenyl) hydrogen sulfate
  • 2-hydroxyphenyl hydrogen sulfate
  • catechol monosulfate
  • pyrocatechol monosulfate
  • 1,2-Benzenediol mono(hydrogen sulfate)
  • pyrocatechol hydrogen sulfate
  • 1,2-Benzenediol mono(hydrogen sulphate)
  • catechol sulfate
  • 1,2-Benzenediol, mono(hydrogen sulfate)
  • catechol sulphate
  • 2-Hydroxyphenyl hydrogen sulphate
  • (2-hydroxyphenyl) hydrogen sulphate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
190.18 g/molcalc.
Exact mass
189.9936 Dacalc.
LogP (octanol/water)
0.57calc.
Topological polar surface area
83.83 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pyrocatechol sulfate suppliers

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Pyrocatechol sulfate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • xenobiotic

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pyrocatechol sulfate is traded under.

HS 2920.90Indicative HS code

Esters, other than thiophosphoric esters (phosphorothioates) and phosphite esters and their salts…

World exports in 2024
$1.05B
+8.0% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China33.4%
  2. Germany18.8%
  3. United States12.4%
Top importers
  1. United States19.2%
  2. Singapore8.9%
  3. South Korea6.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Pyrocatechol sulfate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pyrocatechol sulfate, based on the data on this page

What is Pyrocatechol sulfate?

Pyrocatechol sulfate is an aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group. It has a role as a xenobiotic. It is a member of phenols and an aryl sulfate. It is functionally related to a catechol. It is a conjugate acid of a pyrocatechol sulfate(1-).

What is the CAS number of Pyrocatechol sulfate?

The CAS registry number of Pyrocatechol sulfate is 4918-96-1.

What is the molecular formula and weight of Pyrocatechol sulfate?

The molecular formula of Pyrocatechol sulfate is C6H6O5S and its molar mass is 190.18 g/mol.

What is Pyrocatechol sulfate used for?

Known uses and roles of Pyrocatechol sulfate include building blocks in research and laboratory, screening compounds in research and laboratory and xenobiotic.

Is Pyrocatechol sulfate hazardous?

Pyrocatechol sulfate carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pyrocatechol sulfate?

Pyrocatechol sulfate is usually classified under HS code 292090 (Esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyrocatechol sulfate?

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What is the price of Pyrocatechol sulfate?

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Guides for buyers

Practical guides that help when you source, ship or handle Pyrocatechol sulfate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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