Orcein
Basic information
- CAS
1400-62-0- Standard SMILES
CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)C1=Nc1c(C)cc(O)cc1O- InChIKey
VPEASJIRGSVXBF-UHFFFAOYSA-N- Molecular formula
- C28H24N2O7
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.15835111
Overview
Pacein is a member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8. It is a polyphenol, a member of resorcinols, a member of dibenzofurans, a secondary amino compound and a member of quinomethanes.
Names & identifiers
- Preferred name
- Orcein
- IUPAC
- 8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one
- English name
- ORCEIN
- Molecular formula
- C28H24N2O7
- Molecular weight
- 500.49936
Names & synonyms
Orcein1400-62-0PaceinOrcein (Synthetic)Orcein (from synthetic)natural red 28NSC610930C.I. Natural Red 28NCIStruc1_000110NCIStruc2_0019412,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dioneCHEMBL1418094
Show more names
Orcein NATURAL RED 28ORCEIN, NATURALORCEIN STAININGAceto Orcein 2%ORCEIN SYNTHETICMoss red pigMentOrceinforanalysis
CHEBI:902902,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzo[b,d]furan-3,7-dioneMFCD00062310NSC 610930NSC-6109302,8-Bis((2,4-dihydroxy-6-methylphenyl)amino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione885460-53-7UNII-655WAW52F4
Database identifiers
- CAS
1400-62-0- PubChem CID
- 72685
- DTXSID
DTXSID901014576- ChEMBL
CHEMBL1418094
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 591.36 °C · 591.36°C (rough estimate)
- Density
- 1.3224 · 1.3224 (rough estimate)
- bulk density
- 900 · 900-1000kg/m3
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- room temp
- solubility
- Insoluble in water, benzene, chloroform, ether; soluble in ethanol, acetone, acetic acid; soluble in aqueous alkali
- form
- Powder
- pka
- 4 · 4.0, 6.9, 13.4(at 25℃)
- color
- Dark brown to brown-black
- biological source
- synthetic
- Water Solubility
- Soluble in acetone, alcohol, acetic acid (red color), and dilute aqueous alkali (blue-violet color). Insoluble in water.
- λmax
- 575 nm · 575 nm
- Merck
- 14 · 14,6863
- Stability
- Stable.
- Biological Applications
- Diagnosis of liver biopsy; detecting Candida,hepatitis B surface antigen in fixed tissues,histamines,HBsAg in liver cell,microorganisms
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32129000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H302
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P270-P301+P312a-P330-P501a
Chemistry & industry
Applications
UsesOrcein (cas# 1400-62-0) is an organic dye and histochemical stain. Orcein has also been used as a stain for extracellular matrices. Dyes and metabolites.
UsesBiological stain.
General DescriptionOrcein is a weakly acidic orange-red fluorochrome and is mainly required for the staining of elastic tissue. It is not specific for chromatin staining, however, in acidic solutions it works as a basic dye and stains basophilic chromosomes purple red.
Additional notes
DefinitionChEBI: A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.
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