Basic information
- CAS
2303-01-7- Standard SMILES
Cc1cc(O)ccc1C1(c2ccc(O)cc2C)OS(=O)(=O)c2ccccc21- InChIKey
OLQIKGSZDTXODA-UHFFFAOYSA-N- Molecular formula
- C21H18O5S
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.08749484
Overview
structure given in first source
Names & identifiers
- Preferred name
- m-Cresol Purple
- IUPAC
- 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
- English name
- Cresol Purple
- Molecular formula
- C21H18O5S
- Molecular weight
- 382.43
Names & synonyms
m-Cresol purple2303-01-7Cresol purple3-Cresol purplem-CresolsulfonphthaleinPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-85ODZ58K3DNSC-9607Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(3-methyl-DTXSID3062316RefChem:500557DTXCID2036792
Show more names
Nsc 9607BETZ 04203-cresolpurplem-CresolpurplM-cresol violetpourpredem-cresolCresol Purple, M-
218-960-63,3-Bis(4-hydroxy-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxidem-CresolsulfonephthaleinMetacresol Purplemeta-Cresol purpleMFCD00005871NSC9607m-Cresol Purple (Technical Grade)
Database identifiers
- CAS
2303-01-7- PubChem CID
- 73030
- DTXSID
DTXSID3062316- UNII
- 85ODZ58K3D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
Chemical ClassesDyes -> Indicator Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionPowder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 250 °C · >250°C
- Boiling point
- 577.5 · 577.5±50.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- bulk density
- 480 kg/m3 · 480kg/m3
- storage temp.
- room temp
- solubility
- Very slightly soluble in water, ethanol; soluble in methanol
- form
- Liquid
- pka
- 1.51 · 1.51, 8.32(at 25℃)
- color
- Dark green
- PH Range
- 1.2 · 1.2 (red) - 2.8 (yellow) and 7.4 (yellow) - 9.0 (purple)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-, S,S-dioxide
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 2 water endangering
- tsca
- TSCA listed
- hs_code
- 2934 99 90
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed as an acid-base indicator; [Merck Index]
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-: ACTIVE
Applications
Usesm-Cresol Purple acts as a pH indicator dye. It plays an important role in spectrophotometric pH measurements. It operates in the pH ranges 1.2 - 2.8 (red to yellow) and 7.4 - 9.0 (yellow to violet). Further, it is employed to stain epithelial cells and proteins.
UsesAcid-base indicator.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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