百里酚酞

Description

Thymolphthalein · CAS 125-20-2 · C28H30O4. UNII YG5I28WSQP.

Identification

CAS Registry Number	125-20-2
PubChem CID	31316
Molecular formula	C28H30O4
IUPAC name	3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
UNII (FDA)	YG5I28WSQP

Computed Descriptors

Molecular Weight	430.5
XLogP3	6.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	430.21440943
Monoisotopic Mass	430.21440943
Topological Polar Surface Area	66.8
Heavy Atom Count	32
Formal Charge	0

Physical description & handling notes

• CBI
• White solid; Available as pure compound, soluble monosodium salt, and solution; [CHEMINFO]

Regulatory Status

GHS notification summary	31.7% (13 / 41)

GHS Hazard Classification

GHS notification summary	31.7% (13 / 41)
Reported hazard statements	H341 (53.7%), H350 (53.7%), H361 (48.8%)

Documented Uses

• A phthalein dye used as a pH indicator and chemical reagent; [CHEMINFO] Used as a pH indicator for the pH range of 9.3-10.5; [Ullmann]
• Information on 7 consumer products that contain Thymolphthalein in the following categories is provided:
• 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-: ACTIVE
• Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.

Synonyms

THYMOLPHTHALEIN; 125-20-2; Thymophthalein; 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-; YG5I28WSQP; NSC-2186; Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-; 3,3-Bis(4-hydroxy-5-isopropyl-o-tolyl)phthalide; DTXSID2051633; 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-; RefChem:189869; DTXCID3030185; 204-729-7; MLS000736489; NSC2186; 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one

Frequently Asked Questions

What are the CAS number and molecular formula of Thymolphthalein?

CAS 125-20-2; molecular formula C28H30O4; molecular weight — g/mol.

What other names is Thymolphthalein known by?

THYMOLPHTHALEIN, 125-20-2, Thymophthalein, 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, YG5I28WSQP, NSC-2186.

Is Thymolphthalein classified as hazardous?

31.7% of GHS notifications report no hazard classification (13 of 41).

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.