ChemicalBook--->CAS DataBase List--->596-27-0

596-27-0

596-27-0 Structure

596-27-0 Structure
IdentificationMore
[Name]

o-Cresolphthalein
[CAS]

596-27-0
[Synonyms]

3,3'-DIMETHYLPHENOLPHTHALEIN
LABOTEST-BB LT00451717
O-CRESOLPHTHALEIN
TIMTEC-BB SBB006498
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
3,3-bis(4-hydroxy-3-methylphenyl)-1(3h)-isobenzofuranone
3’,3’’-dimethyl-phenolphthalei
cresolphthalein
Di-o-Cresolphthalide
o-Cresolphalein
o-cresolphtaleine
3,3-bis(4-hydroxy-m-tolyl)phthalide
o-Cresollphthalein (0.04% in ca. ethanol)
o-Cresolphthalein (0.1% in ca. 90% ethanol)
ortho-cresolphthalein
O-CRESOLPHTHALEIN INDICATOR
ORTHO-CRESOLPHTHALEIN, INDICATOR GRADE
O-Cresolphthaleine(PhIndicator)
[EINECS(EC#)]

209-881-8
[Molecular Formula]

C22H18O4
[MDL Number]

MFCD00005912
[Molecular Weight]

346.38
[MOL File]

596-27-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to pink or beige to tan powder
[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
[form ]

powder
[pka]

9.40(at 25℃)
[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]

596-27-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H319-H335+H336-H340-H360-H372-H373
[Precautionary statements ]

P201-P202-P210-P233-P240-P241+P242+P243-P260-P264-P270-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338+P337+P313-P308+P313-P403+P233-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R40:Limited evidence of a carcinogenic effect.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

1170
[WGK Germany ]

3
[RTECS ]

SM8390000
[TSCA ]

Yes
[HS Code ]

3822.19.0080
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Zinc chloride-->o-Cresol-->Ortho toluene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,3-Bis(4-hydroxy-3-methylphenyl)-1(3H)-isobenzofuranone(596-27-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white to pink or beige to tan powder
[Uses]

As indicator: pH range, 8.2 colorless, 9.8 red. 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.
Spectrum DetailBack Directory
[Spectrum Detail]

o-Cresolphthalein(596-27-0)MS
o-Cresolphthalein(596-27-0)1HNMR
o-Cresolphthalein(596-27-0)13CNMR
o-Cresolphthalein(596-27-0)IR1
o-Cresolphthalein(596-27-0)IR2
o-Cresolphthalein(596-27-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

o-Cresolphthalein(596-27-0)
[Sigma Aldrich]

596-27-0(sigmaaldrich)
[TCI AMERICA]

o-Cresolphthalein(596-27-0)
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