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Thymol Blue · CAS 76-61-9 · C27H30O5S. UNII 8YB4804L4M. Melting Point: 223 °C.
| 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 |
| 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 |
| Melting Point | 223 °C |
|---|
| GHS notification summary | 85.7% (6 / 7) |
|---|
| GHS notification summary | 85.7% (6 / 7) |
|---|---|
| Reported hazard statements | H302 (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]
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
CAS 76-61-9; molecular formula C27H30O5S; molecular weight — g/mol.
Thymol blue, 76-61-9, Thymolsulfonephthalein, Thymolsulfophthalein, Thymolsulfonphthalein, Thymosulfonphthalein.
85.7% of GHS notifications report no hazard classification (6 of 7).
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.