기본 정보
- CAS
12225-21-7- 표준 SMILES
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]- InChIKey
WNVDZDLVUGYYKK-UHFFFAOYSA-K- 분자식
- C48H33AlN12O27S6
- 평균 분자량
- 1,429.2 g/mol
- 단동위원소 질량
- 1,427.9717743
개요
C.i. pigment yellow 100 is a yellow to greenish-yellow powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- C.I. Pigment Yellow 100
- IUPAC
- aluminum tris(4-[[3-carboxy-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate)
- 현지명
- 황색 100 침착염료
- 영어명
- Food Yellow 4:1
- 분자식
- C16H9N4O9S2.3Na
- 분자량
- 534.368
이름 및 동의어
12225-21-7DTXSID2025921YELLOW LAKE TRefChem:572571DTXCID801838024JAPAN YELLOW 4 ALUMINUM LAKEFD AND C YELLOW NO. 5 ALUMINUM LAKE4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-4-((4-SULFOPHENYL)AZO)-1H-PYRAZOLE-3-CARBOXYLIC ACID ALUMINUM COMPLEXaluminum;4-[[3-carboxy-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonateSCHEMBL3282817CHEBI:189920CID 22833487
이름 더 보기
황색100침착염료황색100침착염료황색4호KI4ACID YELLOW 23 ALUMINUM LAKEC.I. Pigment Yellow 100C.I. 19140:1Food Yellow 4:1Pigment Yellow 100C.I. Food Yellow 4:1Certolake TartrazineTitanium Aluminium LakeTartrazine alaminium lake
NS00001745aluminum;4-[[3-carboxy-5-oxo-1-(4-sulophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulonateAluminium tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1-sulfonate)
물성
구조 계산 물성
- 극성 표면적
- 669 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 36
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 94
- 형식 전하
- 0
- 복잡도
- 968
실험 및 물리화학적 성질
Food AdditivesCOLOR OR COLORING ADJUNCT -> FDA Substance added to food
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Melting Pointgreater than 572 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
C.i. pigment yellow 100 is a yellow to greenish-yellow powder. (NTP, 1992)
Liquid; Other Solid; Wet Solid
물리화학적 성질
- 밀도
- 0.341 · 0.341[at 20℃]
- 용해도
- 600 mg/L · 600mg/L in organic solvents at 20 ℃
- 산도 계수 (pKa)
- 0 · 0[at 20 ℃]
- 냄새
- 냄새 없는
- 수용성
- 561.286 mg/L · 561.286mg/L at 30℃
- 화장품 원료 기능
- 머리 염색
- LogP
- 0.028 at · 0.028 at 25℃
- EPA
- 100 · C.I. Pigment Yellow 100 (12225-21-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (503 of 503) of all reports.
Not Classified
Aggregated GHS information provided per 503 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: C.I. Pigment Yellow 100
C.I. Pigment Yellow 100 is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of C.I. Pigment Yellow 100 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)
REACH registered substance: Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (EC: 235-428-9)
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
EPA Safer ChemicalChemical: C.I. Pigment Yellow 100
Reactivity AlertsExplosive
Reactivity Profile
C.I. PIGMENT YELLOW 100 is an azo dye complex. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class 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.
화학 및 산업
용도 및 제조
U.S. Production2023: 460,150 lb
Consumer UsesDye
Industry UsesDye
Use Classification
EPA Safer Chemical Functional Use Classes -> Colorants
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
C.I. Pigment Yellow 100: ACTIVE
응용 분야
용도Food Yellow no. 4 Aluminum Lake is a synthetic organic pigment. Dyes and metabolites, Environmental Testing.
일반 설명Yellow to greenish-yellow powder.
제조 방법
4-Aminobenzenesulfonic aciddiazo, and 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acidcoupled into aluminum salt deposit into color.
상·하류 제품 정보
상류 원료
관련 반응
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