Rhodamine B
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Basic Info
| FADB-China ID | C0009 |
| Substance Name | Industry Dyes |
| Substance Chinese Name | 工业染料 |
| Molecular Name | Rhodamine B |
| Molecular Chinese Name | 罗丹明B |
| 2D Structure | |
| CAS Number | 81-88-9 |
| PubChem CID | 6694 |
| Formula | C28H31ClN2O3 |
| IUPAC Name | [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride |
| InChI Key | PYWVYCXTNDRMGF-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H |
| Canonical SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] |
| Isomeric SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] |
| CFM-ID 3.0 | URL Link |
| Related links | Processing, Circulation |
| Addition Purposes | Improve color |
| Molecular Synonyms |
RHODAMINE B
Brilliant Pink B
Tetraethylrhodamine
Rhodamine O
Rheonine B
Rhodamine FB
Calcozine Red BX
Symulex Magenta F
Basic Violet 10
81-88-9
|
| Data Uploader | Shuyu Ouyang |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 479 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Complexity | 811 |
| Monoisotopic Mass | 478.2023206 |
| Exact Mass | 478.2023206 |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
Related Foods
| FADB-China ID | F0011 |
| Food Image |  |
| Food Name | Condiment |
| Food Chinese Name | 调味品 |
| Food Type | Processed food |
| References | List of non-edible substances that may be illegally added in food (first batch) |
Potential Illegal Additives
| ID | Structure | Name | Source | PubChem Link |
|---|---|---|---|---|
Rhodamine B |
T3DB |
Link |
||
Rhodamine 6g |
DrugBank, HPV EPA Chemicals |
Link |
||
Basic Red 1 |
HPV EPA Chemicals, T3DB, ToxCast & Tox21 Chemicals, IARC Carcinogens Group 3 |
Link |
||
Rhodamine 6g |
T3DB |
Link |
||
Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1) |
HPV EPA Chemicals |
Link |
||
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate |
DrugBank, HPV EPA Chemicals |
Link |
||
Rhodamine 6g |
HPV EPA Chemicals, T3DB, ToxCast & Tox21 Chemicals, IARC Carcinogens Group 3 |
Link |
||
Rhodamine 123 |
T3DB |
Link |
||
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate |
DrugBank, HPV EPA Chemicals |
Link |
References
| Title | DOI/PubMed/ISSN |
|---|---|
| Simultaneous determination of eight illegal dyes in chili products by liquid chromatography-tandem mass spectrometry. | 24212142 |
| List of non-edible substances that may be illegally added in food (first batch) |