Thymolphthalein
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Thymolphthalein
structure -
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CAS No:
125-20-2
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Formula:
C28H30O4
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Chemical Name:
Thymolphthalein
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Synonyms:
1(3H)-Isobenzofuranone,3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-;Phenolphthalein,5′,5′′-diisopropyl-2′,2′′-dimethyl-;Thymolphthalein;3,3-Bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-1(3H)-isobenzofuranone;3,3-Bis(4-hydroxy-3-isopropyl-6-methyl)phthalide;2′,2′′-Diisopropyl-5′,5′′-dimethylphenolphthalein;NSC 2186;2-[(4-Hydroxy-5-isopropyl-2-methylphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid;3,3-Bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one;3,3-Bis-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3H-isobenzofuran-1-one;412959-00-3;860114-15-4;1005310-58-6;1065125-48-5;1111022-10-6;1173514-83-4;1185235-35-1;1409972-57-1
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CAS No:
Description
white fine crystalline powder
Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.
Characteristics
66.76000
6.8
white crystalline powder
1.187 g/cm3
253 °C
571.6ºC at 760 mmHg
74 °F
1.612
insoluble
Store at RT.
1.15E-13mmHg at 25°C
3.30-19%
Safety Information
II
3
UN 1170 3/PG 3
3
R40
S36/37
Xn
Stable under normal shipping and handling conditions.
P201, P202, P210, P233, P240, P241, P242, P243, P280, P281, P303+P361+P353, P308+P313, P370+P378, P403+P235, P405, P501
H225
|Danger|H225 (16%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P280, P281, P303+P361+P353, P308+P313, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS. (See all compounds classified as Coloring Agents.)|Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)
Thymolphthalein
Thymolphthalein Use and Manufacturing
Thymolphthalein is an acid–base (pH) indicator. Its transition range is around pH 9.3–10.5. Below this pH, it is colorless; above, it is blue. Thymolphthalein is used as a visual indicator for the pH of swimming pools, changing the water blue when the pH increases, it can be used to detect the presence of urine being introduced into the normally neutral pH of the water. The molar extinction coefficient for the blue thymolphthalein dianion is 38,000M−1cm−1 at 595nm.
1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-: ACTIVE
Computed Properties
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
Complexity:636
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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