Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
C.I. 색소 VI올ET 19
C.I.색소VI올ET19 · C.I.색소바이올렛19 · 퀴노[2,3-b]아크리딘-7,14-다이온,5,12-다이하이드로- · 5,12-다이하이드로퀴노[2,3-b]아크리딘-7,14-디온(안료자색19호 · CI73900) · CI73900),염모제로사용될때 · 5,12-다이하이드로퀴노[2,3-b]아크리딘-7,14-다이온 · 5,7,12,14-테트라하이드로[2,3-b]퀴놀리노아크리딘
식별자 및 물리적 특성
| CAS No. | 1047-16-1 |
|---|---|
| 분자식 | C20H12N2O2 |
| 평균 분자량 | 312.3 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | C.I. 색소 VI올ET 19 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 58.2 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 500 |
| 물질 분류 | Dyes -> Acridine Dyes |
| Polymers | Plastics -> Polyolefin-IPURPolyolefin-IIPVC (soft)ABSPVC (rigid)PETPMMAPAPC(E)PSPlastics -> Pigments agents |
| 화장품 | Hair dyeingCosmetic colorant |
| SpringerMaterials Properties | Crystal structure |
| LogP(분배 계수) | 1.9 (estimated) |
| 밀도 | 1.51.5 g/cm3 |
| Color/Form | Red to violet solid with blueish or yellowish tint depending upon crystalline form.particle characteristics: thin plates |
| 용해도 | Insoluble in waterInsoluble in organic solvents and dispersion media. |
| 녹는점 | 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 |
| 굴절률 | 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] |
| 끓는 점 | 568.5±50.0 °C(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | Solid:nanomaterial |
| pKa(산도 계수) | -2.96±0.20(Predicted) |
| 색상 | Orange to Amber to Dark red |
| 화장품 원료 기능 | 색소머리 염색 |
| LogP(분배 계수) | 2.2 at 24℃ and pH7 |
| NIST | Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-(1047-16-1) |
| EPA | Quinacridone (1047-16-1) |
화학적 성질
The parent compound Pigment Violet 19 exists in three polymorphic modifications. The red gamma and violet beta forms are commercial pigments, whereas the red alpha form is metastable.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 유해성 요약 | 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 요건 | 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 |
| 환경 거동 | 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. |
| 유해 작용 | 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 등재 상태 | TSCA listed |
| RTECS 번호 | VA8533500 |
| 독성 | LD50 oral in rat: > 20mL/kg |
| 관세 코드 | 29339900 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-10744 |
| 유해 물질 데이터 | 1047-16-1(Hazardous Substances Data) |