百里酚蓝

Description

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

Identification

CAS Registry Number	76-61-9
PubChem CID	65565
Molecular formula	C27H30O5S
IUPAC name	4-[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 Weight	466.6
XLogP3	6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	466.18139523
Monoisotopic Mass	466.18139523
Topological Polar Surface Area	92.2
Heavy Atom Count	33
Formal Charge	0

Physical & Chemical Properties

Melting Point	223 °C

Physical description & handling notes

• Brownish-green crystals available as pure compound, soluble monosodium salt, and dilute solutions; [CHEMINFO]

Regulatory Status

GHS notification summary	85.7% (6 / 7)

GHS Hazard Classification

GHS notification summary	85.7% (6 / 7)
Reported hazard statements	H302 (14.3%)

Documented Uses

• 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

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

Frequently Asked Questions

What are the CAS number and molecular formula of Thymol Blue?

CAS 76-61-9; molecular formula C27H30O5S; molecular weight — g/mol.

What other names is Thymol Blue known by?

Thymol blue, 76-61-9, Thymolsulfonephthalein, Thymolsulfophthalein, Thymolsulfonphthalein, Thymosulfonphthalein.

Is Thymol Blue classified as hazardous?

85.7% of GHS notifications report no hazard classification (6 of 7).

What are the key physical properties of Thymol Blue?

Melting Point: 223 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.