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Ponceau 4R

CAT: 0804-HY-D0193-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0193-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ponceau 4R is a synthetic colorant that can be used for food coloring. Ponceau 4R is a strawberry red azo dye that can be used in a variety of foods, usually synthesized from aromatic hydrocarbons, and is stable to light, heat, and acids[1][2].
CAS Number
2611-82-7
Product Name Alternative
Acid Red 18; New Coccine
UNSPSC
12171500
Hazard Statement
H302, H315, H319, H335
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Ponceau-4R.html
Purity
99.84
Solubility
DMSO : 10 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 25 mg/mL (ultrasonic)
Smiles
O=S(C1=C2C(/N=N/C3=C4C=CC=CC4=C(S(=O)(O[Na])=O)C=C3)=C(O)C=CC2=CC(S(=O)(O[Na])=O)=C1)(O[Na])=O
Molecular Formula
C20H11N2Na3O10S3
Molecular Weight
604.47
Precautions
H302, H315, H319, H335
References & Citations
[1]Rychen G, et al. Safety and efficacy of ponceau 4R for cats, dogs and ornamental fish. EFSA J. 2018 Mar 29;16 (3) :e05222.|[2]Dong Y, et al. Quantification of Ponceau 4R in Foods by Indirect Competitive Enzyme-Linked Immunosorbent Assay (icELISA) . J Agric Food Chem. 2015 Jul 22;63 (28) :6338-45.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

C.I. Acid Red 18, trisodium salt

See also: Ponceau 4R, cochineal red A (annotation moved to); Ponceau 4R (annotation moved to).

CAS Number2611-82-7
PubChem CID17466
IUPAC Nametrisodium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate
Molecular FormulaC20H11N2Na3O10S3
Molecular Weight604.5
Topological Polar Surface Area242
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Heavy Atom Count38
Formal Charge0
Complexity1080
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
InChIKey
SWGJCIMEBVHMTA-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of C.I. Acid Red 18, trisodium salt
CAS: 2611-82-7
CID: 17466
Formula: C20H11N2Na3O10S3
MW: 604.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Exact Mass603.92689092
Monoisotopic Mass603.92689092
Topological Polar Surface Area242 Ų
Heavy Atom Count38
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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