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Analytical reagents

Thymol blue

Also known as Thymolsulfonephthalein, Thymolsulfophthalein, Thymolsulfonphthalein

CAS 76-61-9Formula C27H30O5SMolar mass 466.60 g/molEC 200-973-3
GHS signal word: Warning. Pictograms: Harmful or irritant 24 suppliers listed
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Thymol blue chemical structure, C27H30O5S, CAS 76-61-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76-61-9
Formula
C27H30O5S
Physical form
Solid
Melting point
223 ยฐC
HS code
293499
Category
Analytical reagents
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Thymol blue?

Plain description, key identifiers and synonyms

Thymol blue is a chemical substance with the molecular formula C27H30O5S and a molar mass of 466.60 g/mol. Its CAS registry number is 76-61-9. The IUPAC name is 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1ฮป6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1ฮป6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
CAS number
76-61-9 CAS number cross-checked
EC number
200-973-3
Molecular formula
C27H30O5S
UNII
8YB4804L4M
MDL number
MFCD00005869
InChIKey
PRZSXZWFJHEZBJ-UHFFFAOYSA-N
InChI
InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

Synonyms

  • Thymolsulfonephthalein
  • Thymolsulfophthalein
  • Thymolsulfonphthalein
  • Thymosulfonphthalein
  • Thymolsulphonphthalein
  • Thymolsulfonephalein
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, S,S-dioxide
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide
  • ThymolBlue
  • Thymolblau
  • Thymol Bleu
  • 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
  • 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
  • Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
  • 4-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-isopropyl-5-methyl-phenol
  • Thymol blue, acs
  • Thym
  • Timolo blu
  • Azul Timol
  • Thymolblue indicator
  • Thymol Blue, ACS reagent
  • 5-19-03-00462 (Beilstein Handbook Reference)
Show all 36 synonyms
  • Thymol Blue, JIS special grade
  • Thymol,6'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • Thymol, 6,6'-(3H-2, 1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
  • 3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]benzo[c]1,2-oxathiolane-1,1-d ione
  • 3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]benzo[c]1,2-oxathiolene-1,1-d ione
  • Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide
  • 3,3-Bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenol) S,S-dioxide
  • 5-methyl-4-[3-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-2-propan-2-yl-phenol
  • Phenol, 4,4'-(3H-2, {1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-,} S, S-dioxide

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

Physical form
Solidexp.
Melting point
223 ยฐCexp.

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
466.60 g/molcalc.
Exact mass
466.1814 Dacalc.
LogP (octanol/water)
5.97calc.
Topological polar surface area
83.83 ร…ยฒcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, O=S1(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc21

O=S1(=O)OC(c2ccccc2)(c2ccccc2)c2ccccc21

4 rings, 23 atoms, the 3,3-Diphenyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide ring system.

63 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

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

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

Thymol blue suppliers

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Where suppliers are based

24 suppliers in 4 countries

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Thymol blue 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

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thymol blue is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Thymol blue, based on the data on this page

What is Thymol blue?

Thymol blue is a chemical substance with the molecular formula C27H30O5S and a molar mass of 466.60 g/mol. Its CAS registry number is 76-61-9. The IUPAC name is 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1ฮป6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol.

What is the CAS number of Thymol blue?

The CAS registry number of Thymol blue is 76-61-9.

What is the molecular formula and weight of Thymol blue?

The molecular formula of Thymol blue is C27H30O5S and its molar mass is 466.60 g/mol.

What is Thymol blue used for?

Known uses and roles of Thymol blue include analytical reagents in research and laboratory and indicators and stains in research and laboratory.

Is Thymol blue hazardous?

Thymol blue carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thymol blue?

Thymol blue is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclicโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thymol blue?

CompoundList lists 24 suppliers of Thymol blue in India, United States, China and Thailand. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Thymol blue in India?

12 suppliers in India list Thymol blue on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Thymol blue?

Suppliers quote Thymol blue on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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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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