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Thymol Blue

CAS 76-61-9C27H30O5SMW 466.6

Thymol Blue (CAS 76-61-9) — formula C27H30O5S, molecular weight 466.6; category organic chemicals.

Product Description

Thymol Blue (CAS 76-61-9) is a chemical raw material in the organic chemicals category. Its molecular formula C27H30O5S comprises 27 C, 30 H, 5 O, 1 S atoms. Its molecular weight is about 466.6. Reported physicochemical data: melting point around 223 °C, LogP about 6. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number76-61-9
Molecular FormulaC27H30O5S
Molecular Weight466.6
Melting Point223 °C
LogP6
ApplicationsA sulfonphthalein dye used as a pH indicator, Used as a pH indicator for the pH range of 1.2-2.8 and 8.0-9.6, Phenol, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: A sulfonphthalein dye used as a pH indicator, Used as a pH indicator for the pH range of 1.2-2.8 and 8.0-9.6, Phenol, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-: ACTIVE.

Technical Profile

What this product is

Thymol Blue is a carbon-based organic compound with CAS registry number 76-61-9 and molecular formula C27H30O5S (molecular weight 466.6), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 76-61-9

Its molecular formula C27H30O5S comprises 27 C, 30 H, 5 O, 1 S atoms.

Also known as: Thymol Blue · 百里酚蓝

Category: organic chemicals

Frequently Asked Questions

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 molecular weight of Thymol Blue?

Molecular formula C27H30O5S, molecular weight 466.6.

What other names is Thymol Blue known by?

It is also registered under: Thymol Blue, 百里酚蓝.

What are the documented applications of Thymol Blue?

Recorded applications: A sulfonphthalein dye used as a pH indicator, Used as a pH indicator for the pH range of 1.2-2.8 and 8.0-9.6, Phenol, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-: ACTIVE.

Which category does Thymol Blue belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Thymol Blue (CAS 76-61-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number76-61-9
PubChem CID65565
Molecular formulaC27H30O5S
IUPAC name4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
UNII (FDA)8YB4804L4M

Computed descriptors

Molecular Weight466.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass466.18139523
Monoisotopic Mass466.18139523
Topological Polar Surface Area92.2
Heavy Atom Count33

Physicochemical values on record

Melting Point223 °C

Documented uses on record

  • A sulfonphthalein dye used as a pH indicator; [CHEMINFO] Used as a pH indicator for the pH range of 1.2-2.8 and 8.0-9.6; [Ullmann]
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-: ACTIVE

Synonyms and trade names

Thymol blue; 76-61-9; Thymolsulfonephthalein; Thymolsulfophthalein; Thymolsulfonphthalein; Thymosulfonphthalein; Thymolsulphonphthalein; Thymolsulfonephalein; Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-; DTXSID5058800; 8YB4804L4M; Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, S,S-dioxide; NSC-11238; 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; RefChem:189864

Regulatory listings held on file

GHS notification summary85.7% (6 / 7)

GHS hazard classification

GHS notification summary85.7% (6 / 7)
Reported hazard statementsH302 (14.3%)

This chemical does not meet GHS hazard criteria for 85.7% (6 of 7) of all reports.

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

What the public record says

Thymol Blue · CAS 76-61-9 · C27H30O5S. UNII 8YB4804L4M. Melting Point: 223 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 百里酚蓝

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