Introduction：Basic information about o-Cresolphthalein CAS 596-27-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
o-Cresolphthalein Basic information
| Product Name: | o-Cresolphthalein |
| Synonyms: | 3’,3’’-dimethyl-phenolphthalei;cresolphthalein;Di-o-Cresolphthalide;o-Cresolphalein;o-cresolphtaleine;3,3-bis(4-hydroxy-3-methylphenyl)-(3H)-Isobenzofuranone;3,3-bis(4-hydroxy-3-methylphenyl)-1(3h)-isobenzofuranon;3,3-Bis(4-hydroxy-3-methylphenyl)-1-(3H)-iso-benzofuranone |
| CAS: | 596-27-0 |
| MF: | C22H18O4 |
| MW: | 346.38 |
| EINECS: | 209-881-8 |
| Product Categories: | Phthalein;Analytical Chemistry;Indicator (pH);pH Indicators;CTitration;Indicators;pH Indicators - Solids;Stains and Dyes;Stains&Dyes, A to |
| Mol File: | 596-27-0.mol |
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o-Cresolphthalein Chemical Properties
| Melting point | 223-225 °C |
| Boiling point | 401.12°C (rough estimate) |
| density | 1.1425 (rough estimate) |
| refractive index | 1.4400 (estimate) |
| storage temp. | room temp |
| solubility | Solubility Slightly soluble in water; soluble in ethanol |
| pka | 9.40(at 25℃) |
| form | powder |
| color | Clear colorless |
| PH | 8.2-9.8, colorless to red |
| PH Range | 8.2 (colorless) - 9.8 (violet/red) |
| Water Solubility | slightly soluble |
| ε(extinction coefficient) | ≥10000 at 294-300nm
≥39000 at 564-570nm
≥5000 at 378-384nm |
| λmax | 566nm, 381nm |
| Merck | 14,2576 |
| BRN | 310554 |
| Major Application | Sensors, display device, photoresists, recording materials, imaging materials, authentication system for secure documents, decoder system, lithium cells, electroplating process, inks, markers, toners, correction fluid, paints, adhesives, floor coatings, gas leaking detector for safety in industries, toys, food storage, diapers, determination of calcium, lotions, urine analysis test strips, drugs, blood analysis |
| InChI | 1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3 |
| InChIKey | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
| SMILES | Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4 |
| CAS DataBase Reference | 596-27-0(CAS DataBase Reference) |
| EPA Substance Registry System | 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)- (596-27-0) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 40-36/37/38-20/21/22 |
| Safety Statements | 36/37-36-26 |
| RIDADR | 1170 |
| WGK Germany | 3 |
| RTECS | SM8390000 |
| TSCA | TSCA listed |
| HS Code | 3822.19.0080 |
| Storage Class | 11 - Combustible Solids |
o-Cresolphthalein Usage And Synthesis
| Chemical Properties | white to pink or beige to tan powder. soluble in ethanol, ether, glacial acetic acid, soluble in dilute alkali and turns purple, slightly soluble in water, hardly soluble in benzene. |
| Uses | O-Cresolphthalein has been used as a component in calcifying media for calcification assay. It is also used as an indicator (pH range, 8.2 colorless, 9.8 red) and analytical reagent. |
| Application | O-Cresolphthalein is a gadolinium chelate that is used as a contrast agent for magnetic resonance imaging (MRI) of the brain, spine, and joints. The gadolinium ion is bound to the cresol molecule, which has an attached hydroxyl group. This complex attaches to the phosphorous pentoxide and creates a precipitate of metal hydroxides in the presence of water and sodium carbonate. O-Cresolphthalein is also used in clinical pathology to measure glomerular filtration rate (GFR), which is important for diagnosing renal disease. MRI scans are used to diagnose osteogenic genes that are associated with bone diseases such as osteoporosis. |
| Biochem/physiol Actions | o-Cresolphthalein is a reversible pH indicator. The kinetics of the reverse pathway (red-purple to colorless) is slow, thereby making it an appropriate molecule to check flow patterns in ducts with corrugated walls. It is also used for the colorimetric determination of calcium content via the o-cresolphthalein complexone method. Binding of calcium to o-cresolphthalein, in the presence of alkaline conditions (pH 10-12), results in the formation of a red complex with an absorbance at 570-575nm. |
o-Cresolphthalein Preparation Products And Raw materials
| Raw materials | Zinc chloride-->o-Cresol-->ORTHO TOLUENE |
