HuagongsheHuagongshe Chemistry Print Report · For research reference only
Quinacridone
PIGMENT VIOLET 19 · Violet 19 · 5,12-dihydroquino[2,3-b]acridine-7,14-dione · 3-b)acridine-7,14-dione,5,12-dihydro-quino( · 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione · 5,12-dihydroquinolino[2,3-b]acridine-7,14-quinone · e3bred · rede3b
Identifiers & Physical Properties
| CAS No. | 1047-16-1 |
|---|---|
| Molecular formula | C20H12N2O2 |
| Average molar mass | 312.3 g/mol |
| Monoisotopic mass | 312.08987762 g/mol |
| SMILES | O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12 |
| InChIKey | NRCMAYZCPIVABH-UHFFFAOYSA-N |
| PubChem CID | 13976 |
| ChEBI | CHEBI:174977 |
| EC No. | 213-879-2 |
| DTXSID | DTXSID5027354 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 58.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 500 |
| Chemical classes | Dyes -> Acridine Dyes |
| Polymers | Plastics -> Polyolefin-IPURPolyolefin-IIPVC (soft)ABSPVC (rigid)PETPMMAPAPC(E)PSPlastics -> Pigments agents |
| Cosmetics | Hair dyeingCosmetic colorant |
| SpringerMaterials Properties | Crystal structure |
| LogP (partition coefficient) | 1.9 (estimated) |
| Density | 1.51.5 g/cm3 |
| Color/Form | Red to violet solid with blueish or yellowish tint depending upon crystalline form.particle characteristics: thin plates |
| Solubility | Insoluble in waterInsoluble in organic solvents and dispersion media. |
| Melting point | 390 °C |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Refractive index | Refractive index: quinacridine red (gamma), n(Na) Av. 2.04quinacridine red (beta), Av. 2.02 |
| Physical Description | LiquidOther SolidDry PowderCBIRed to violet solidBluish or yellowish tint depending of form[HSDB] Red odorless powder[MSDSonline] |
| Boiling point | 568.5±50.0 °C(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Solid:nanomaterial |
| pKa (acidity coefficient) | -2.96±0.20(Predicted) |
| Colour Index | 46500 |
| Color | Orange to Amber to Dark red |
| Cosmetics Ingredients Functions | COLORANTHAIR DYEING |
| LogP (partition coefficient) | 2.2 at 24℃ and pH7 |
| CAS DataBase Reference | 1047-16-1(CAS DataBase Reference) |
| Indirect Additives used in Food Contact Substances | QUINACRIDONE RED (C.I. PIGMENT VIOLET 19, C.I. NO. 73900) |
| FDA 21 CFR | 175.300178.3297 |
| EWG's Food Scores | 1-3 |
| FDA UNII | 11P487375P |
| NIST Chemistry Reference | Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-(1047-16-1) |
| EPA Substance Registry System | Quinacridone (1047-16-1) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319 |
| GHS precautionary statements | P261-P302+P352-P305+P351+P338 |
| Safety statements (S) | 24/25 |
| RTECS number | VA8533500 |
| TSCA inventory status | TSCA listed |
| Customs code | 29339900 |
| Hazardous substances data | 1047-16-1(Hazardous Substances Data) |
| Toxicity | LD50 oral in rat: > 20mL/kg |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 99.6% (760 of 763) of all reports.Not ClassifiedAggregated GHS information provided per 763 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 23-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14755Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | Skin reactions have been reported: inflammation in a tattoo after sun exposure and acne-like changes on the face of a child colored with a red felt-tip penAlso acne-like reaction on the skin of rabbits after coloring with red felt-tip pen[HSDB] No known adverse effects on human healthNot an irritantNot a sensitizer[MSDSonline] See Acridine. |
| Special Reports | A BRIEF DESCRIPTION OF THE CHEMICAL PROPERTIES, DEVELOPMENT, & EFFORTS TOWARD GAINING APPROVAL OF THE QUINACRIDONE PIGMENT VIOLET #19 (LINEAR TRANS QUINACRIDONE) BY THE FDA IS PRESENTED.[VIOLET #19--POTENTIAL NEW COSMETIC COLORCOSMET TOILET 94(MAY) 19 (1979)][ITC/USEPAInformation Review #315 (Draft) Cinquasia Red 1982] |
| TSCA requirements | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use and exposure to EPA. |
| Hazard Classes and Categories | Not Classified |
| Environmental fate | Much of cinquasia red will be bound up in the components of landfills, junkyards, and general dump sites.Terrestrial: The insolubility of cinquasia red will cause it to collect in soils and sediments.Aquatic: Due to its insolubility, cinquasia red may reside in the water column for a substantial period, long enough to become part of deep sea sediments. |
| Adverse effects | Dermatotoxin - PICD (photoirritant contact dermatitis). |
| Human Toxicity Excerpts | Two different red pigments used for tattooing were found to give rise to inflammatory reactions in the skin. No inorganic component was found in the pigments. NMR and MS analyses elucidated the molecular structures ... a red-violet pigment was found to be linear quinacridone. A strong exposure to UV-light was reported in most cases prior to the onset of the inflammation.Acne-like changes were observed on a child's cheek after coloring them with a red felt tip pen. Numerous comedos appeared around a red tattoo colored with felt tip pen ink on a 16-yr-old girl. |
| Artificial Pollution Sources | Released to the environment as fugitive dust during manufacturing and end use.EPA reported that the waste streams from the manufacture of cinquasia red are brines which contain small amounts of organic chemicals and strong acid wastes. |
| Environmental Biodegradation | Biodegradation is expected to be slow. The strong crystal lattice (e.g. low sol) is partially responsible. |
| Environmental Bioconcentration | Cinquasia red should not bioconcentrate, since it is insoluble, and therefore, will not be taken up into the body. |
| Non-Human Toxicity Excerpts | Pigment Violet #19 was nonmutagenic by Ames test.In rabbits ... /pigment violet 19/ in felt tip pens produced a comedo type reaction. |
| Probable Routes of Human Exposure | 17,082 workers were potentially exposed to cinquasia red in 1980 from the chemical, rubber, plastics and paper industries. |
| TSCA inventory status | TSCA listed |
| RTECS number | VA8533500 |
| Customs code | 29339900 |
| Toxicity | LD50 oral in rat: > 20mL/kg |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| GHS hazard statements | H302-H315-H319 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P302+P352-P305+P351+P338 |
| Hazardous substances data | 1047-16-1(Hazardous Substances Data) |
Applications & Uses
Description
CI 73900 is classed chemically as a quinacridone colour.
Uses
Quinacridone is mainly used for coloring plastics, coatings, resins, coating printing, inks, paints, rubber (including synthetic rubber) and plexiglass, and can also be used for dope (slurry) coloring of synthetic fibers.