o-cresolphthalein

Modify Date: 2026-07-19 15:48:01

o-cresolphthalein Structure
o-cresolphthalein structure
 Common Name o-cresolphthalein
CAS Number 596-27-0 Molecular Weight 346.376
Density 1.3±0.1 g/cm3 Boiling Point 555.0±50.0 °C at 760 mmHg
Molecular Formula C22H18O4 Melting Point 223-225 °C
MSDS Chinese USA Flash Point 198.8±23.6 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name o-Cresolphthalein
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.3±0.1 g/cm3
Boiling Point 555.0±50.0 °C at 760 mmHg
Melting Point 223-225 °C
Molecular Formula C22H18O4
Molecular Weight 346.376
Flash Point 198.8±23.6 °C
Exact Mass 346.120514
PSA 66.76000
LogP 3.55
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.668
InChIKey CPBJMKMKNCRKQB-UHFFFAOYSA-N
SMILES Cc1cc(C2(c3ccc(O)c(C)c3)OC(=O)c3ccccc32)ccc1O
Water Solubility slightly soluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM8390000
CHEMICAL NAME :
Phenolphthalein, 3',3''-dimethyl-
CAS REGISTRY NUMBER :
596-27-0
BEILSTEIN REFERENCE NO. :
0310554
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C22-H18-O4
MOLECULAR WEIGHT :
346.40
WISWESSER LINE NOTATION :
T56 BVO DHJ DR DQ C1& DR DQ C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02167 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1081 No. of Facilities: 127 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 2223 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1081 No. of Facilities: 36 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 903 (estimated) No. of Female Employees: 643 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R40
Safety Phrases S36/37
RIDADR NONH for all modes of transport
RTECS SM8390000
HS Code 2932209090

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  2

DownStream  2

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles13

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Hepatorenal protective effect of Antistax(®) against chemically-induced toxicity.

Pharmacogn. Mag. 11 , S173-81, (2015)

Antioxidant natural products and chemoprevention are considered nowadays as an effective approach against health various disorders and diseases induced by oxidative stress or free radicals.The aim of ...

Establishing pediatric reference intervals for 13 biochemical analytes derived from normal subjects in a pediatric endocrinology clinic in Korea.

Clin. Biochem. 47(18) , 268-71, (2014)

Defining pediatric reference intervals is one of the most difficult tasks for laboratory physicians. The continuously changing physiology of growing children makes their laboratory values moving targe...

Relative abundance of fetuin- A in peritoneal dialysis effluent and its association with in situ formation of calciprotein particles: an observational pilot study.

Nephrology (Carlton.) 20(1) , 6-10, (2014)

In patients with renal failure or chronic inflammation, the accumulation of fetuin-A-containing calciprotein particles (CPP) in the extracellular fluid has been implicated in driving inflammatory path...

 o-cresolphthaleinBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one
3,3'-DIMETHYLPHENOLPHTHALEIN
o-cresolphthalein
MFCD00005912
3,3-Bis(4-hydroxy-3-methylphenyl)-1(3H)-isobenzofuranone
3,3-Bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1(3H)-one
EINECS 209-881-8

 o-cresolphthalein | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of o-Cresolphthalein?
A: Polar surface area (PSA) of o-Cresolphthalein is 66.76000.
Q: How is the water solubility of o-Cresolphthalein?
A: Water solubility of o-Cresolphthalein: slightly soluble.
Q: What are the downstream products of o-Cresolphthalein?
A: Related downstream products(CAS) of o-Cresolphthalein: 17241-40-6;2411-89-4.
Q: What is the LogP of o-Cresolphthalein?
A: LogP of o-Cresolphthalein is 3.55.
Q: What is the SMILES notation of o-Cresolphthalein?
A: SMILES notation of o-Cresolphthalein is Cc1cc(C2(c3ccc(O)c(C)c3)OC(=O)c3ccccc32)ccc1O.
Q: What is the molecular formula of o-Cresolphthalein?
A: Molecular formula of o-Cresolphthalein is C22H18O4.
Q: What is the melting point of o-Cresolphthalein?
A: Melting point of o-Cresolphthalein is 223-225 °C.
Q: What is the CAS number of o-Cresolphthalein?
A: CAS number of o-Cresolphthalein is 596-27-0.
Q: What English synonyms does o-Cresolphthalein have?
A: English synonyms of o-Cresolphthalein: 3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one, 3,3'-DIMETHYLPHENOLPHTHALEIN, o-cresolphthalein, MFCD00005912, 3,3-Bis(4-hydroxy-3-methylphenyl)-1(3H)-isobenzofuranone, 3,3-Bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1(3H)-one, EINECS 209-881-8.
Q: What is the molecular weight of o-Cresolphthalein?
A: Molecular weight of o-Cresolphthalein is 346.376.

 o-cresolphthaleinfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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Chemsrc provides o-cresolphthalein(CAS#:596-27-0) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of o-cresolphthalein are included as well.>> amp version: o-cresolphthalein

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