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C.I. Solvent Red 80
C.I.12156 · CITRUSRED · CITRUSRED2 · CITRUSREDNO.2 · Solvent Red 80. · ditrus red 2-D6 · C.I.Solvent Red 80 · Blueberry red pigment
Identifikatoren & physikalische Daten
| CAS No. | 6358-53-8 |
|---|---|
| Summenformel | C18H16N2O3 |
| Durchschnittliche Molmasse | 308,3 g/mol |
| Monoisotopische Masse | 308,11609237 g/mol |
| SMILES | COc1ccc(OC)c(N=Nc2c(O)ccc3ccccc23)c1 |
| InChIKey | GJUABKCEXOMRPQ-UHFFFAOYSA-N |
| PubChem CID | 22830 |
| ChEMBL | CHEMBL3560990 |
| ChEBI | CHEBI:82306 |
| EC No. | 228-778-9 |
| DTXSID | DTXSID6024838 |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 404 |
| Stoffklassen | Dyes -> Azo DyesCarcinogens |
| Lebensmittelzusatzstoffe | Foods -> FDA Regulatory Status of Color AdditivesCOLOR OR COLORING ADJUNCT -> FDA Substance added to food |
| Color/Form | Orange to yellow solid or dark red powder (NTP, 1992)Crystals |
| Löslichkeit | less than 1 mg/mL at 72 °F (NTP, 1992)Partially soluble in ethanol and vegetable oils |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxide/. |
| Schmelzpunkt | 311 to 315 °F (NTP, 1992)156 °C155-157° |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Citrus red no. 2 appears as orange to yellow solid or dark red powder. (NTP, 1992)Orange to yellow or dark red solid[CAMEO] Red crystalline solid[MSDSonline] |
| Collision Cross Section | 177.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6024838] |
| Siedepunkt | 448.73°C (rough estimate) |
| Dichte | 1.2510 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 13.61±0.50(Predicted) |
| BRN | 4510811 |
| Henry-Konstante | 1.9×107 mol/(m3Pa) at 25℃, HSDB (2015) |
| Hauptanwendungen | cleaning productscosmeticsfood and beveragespersonal care |
| InChI | 1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3 |
| InChIKey | GJUABKCEXOMRPQ-UHFFFAOYSA-N |
| SMILES | COc1ccc(OC)c(c1)N=Nc2c(O)ccc3ccccc23 |
| LogP (Verteilungskoeffizient) | 3.129 (est) |
| EPA chemische Informationen | Citrus Red No. 2 (6358-53-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH351 (100%): Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.H351: Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| Regulatorische Informationen | Hazard Traits - CarcinogenicityThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: When heated to decomposition it emits toxic fumes of NOx. (NTP, 1992) |
| Gefahrenübersicht | In chronic high-dose feeding studies of rats and mice: increased bladder stones and bladder carcinomas[HSDB] |
| FDA-Anforderungen | All batches of this color additive when used as in food shall meet the specifications, uses and restrictions, and labeling regulations contained in 21 CFR Part 74 and be certified in accordance with regulations in 21 CFR Part 80. |
| Reaktive Gruppe | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| Special Reports | Khera KS, Munro ICA Review of the Specifications and Toxicity of Synthetic Food Colors Permitted in CanadaCRC Crit Rev Toxicol 6 (2): 81-133 (1979) |
| Reactivity Alerts | Explosive |
| Reactivity Profile | CITRUS RED NO. 2 is an azo compound. Toxic gases are formed by mixing compounds containing azo groups with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. |
Anwendungen & Verwendung
Verwenden
To color orange skins.
Herstellung & Synthese
synthetische
2,5-Dimethoxyaniline diazotization, and Naphthalen-2-ol coupling.