Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
C.I. 용제 황색 33
C.I.용제황색33 · 1,3-아이소벤조퓨란다이온,메틸퀴놀린및퀴놀린의반응생성물(솔벤트황색33호 · CI47000) · CI47000),염모제로사용될때 · CI 47000 · E104 · KI204 · yellow204
식별자 및 물리적 특성
| CAS No. | 8003-22-3 |
|---|---|
| 분자식 | C18H11NO2 |
| 평균 분자량 | 273.3 g/mol |
| 단동위원소 질량 | 273.07897859 g/mol |
| SMILES | O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1 |
| InChIKey | IZMJMCDDWKSTTK-UHFFFAOYSA-N |
| PubChem CID | 6731 |
| ChEMBL | CHEMBL1486465 |
| ChEBI | CHEBI:53700 |
| EC No. | 201-453-9 |
| DTXSID | DTXSID00873130 |
| 현지명 | C.I. 용제 황색 33 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 47 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 422 |
| 물질 분류 | Dyes -> Other Dyes |
| 화장품 | Cosmetic colorantHair dyeing |
| 향료 | Fragrance Ingredient (C.I. Solvent yellow 33) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 4.10 |
| 식품 첨가물 | Drugs, Cosmetics -> FDA Regulatory Status of Color Additives |
| Color/Form | Bright greenish yellowYellow brown in concentrated H2SO4, yellow flocculent precipitate in dilutionYellow-gold powder |
| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992)In water, 0.169 mg/L at 25 °CIn ethylene glycol monomethyl ether, 3 mg/mLethanol, 0.3 mg/mLSoluble in acetone, benzene, toluene and xyleneslightly soluble in ethyl acetate, linseed oil, mineral oil, paraffin wax and stearic acid50g/L in organic solvents at 20 ℃ |
| Decomposition | When heated to decomposition it emits toxic fumes of /oxides of nitrogen/. |
| 녹는점 | 320 °F (Sublimes) (NTP, 1992)241 °C240C |
| 증기압 | 0.00000001 [mmHg]0Pa at 25℃ |
| Physical Description | D & c yellow 11 appears as bright greenish yellow solid or canary yellow powder. (NTP, 1992)Wet SolidDry PowderYellow powder or granulesBright greenish yellow or canary yellow solid[CAMEO] |
| 끓는 점 | 250℃[at 101 325 Pa] |
| 밀도 | 0.274[at 20℃] |
| 저장 조건 | room temp |
| 물리적 상태 | 고체 |
| 색상 | 노란색에서 진한 노란색까지 |
| 용해도 | 5.438mg/L at 25℃ |
| Merck | 13,8164 |
| 헨리 상수 | 1.6×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| 주요 응용 | 진단 검사 제조혈액학조직학 |
| 화장품 원료 기능 | 머리 염색색소 |
| InChI | 1S/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H |
| InChIKey | IZMJMCDDWKSTTK-UHFFFAOYSA-N |
| SMILES | O=C1C(c2ccc3ccccc3n2)C(=O)c4ccccc14 |
| LogP(분배 계수) | 3.55 at 25℃ |
| EPA | C.I. Solvent Yellow 33 (8003-22-3) |
화학적 성질
yellow powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 규제 정보 | Chemical: C.I. Solvent Yellow 33Regulation (EC) No 1333/2008 (amended)C.I. Solvent Yellow 33 is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of C.I. Solvent Yellow 33 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)C.I. Solvent Yellow 33: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Quinoline Yellow, spirit-soluble: Human health tier II assessment |
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 유해성 요약 | Demonstrates a high potential for skin sensitization, with positive patch test results from soaps, facial cosmetics, and in beauticiansCauses liver changes in animal studies[NTP] A skin and strong eye irritantTargets the liver and kidney[Aldrich MSDS] |
| FDA 요건 | All batches of this color additive when used in externally applied drugs 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.All batches of this color additive when used in coloring externally applied cosmetics 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. |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Air and Water Reactions |
용도
용도
It is used in cosmetic composition for application to the skin, lips, and/or body surface. Dyes and metabolites, Environmental Testing.
일반 설명
Bright greenish yellow solid or canary yellow powder.
제조 및 합성 방법
제조 방법
the dye: (a) 2-Methylquinolineand Phthalic anhydride in 200 ℃ in the presence of Zinc chloride condensation; (b) 2-Methylquinolineand Diethyl phthalatein the 100 ℃ were hot. (c) 3 – (2 – quinolin – ylmethylidene) – 2 – benzo [c] furanone and Sodium ethoxide in 240 ~ 250 ℃ were hot. Late dye: 2-Methylquinolineand 2,6-DimethylquinolinePhthalic anhydride mixture and in 190 ~ 220 ℃ were hot.