o-cresolphthalein

Modify Date: 2025-08-20 16:29:53

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

Name o-Cresolphthalein
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

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

 Customs

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

 Articles13

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 o-cresolphthaleinBioassay

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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

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
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