基本情報
- CAS
12225-21-7- 標準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- 分子式
- C48H33AlN12O27S6
- 平均分子量
- 1,429.2 g/mol
- 単同位体質量
- 1,427.9717743
概要
C.i. pigment yellow 100 is a yellow to greenish-yellow powder. (NTP, 1992)
名称と識別子
- 優先名称
- C.I. Pigment Yellow 100
- IUPAC
- aluminum tris(4-[[3-carboxy-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate)
- 現地名
- フードイエローNo.4アルミニウムレーキ
- 英語名
- Food Yellow 4:1
- 分子式
- C16H9N4O9S2.3Na
- 分子量
- 534.368
名称と別名
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
名称をさらに表示
フードイエローNo.4アルミニウムレーキ食用黄色４号アルミニウムレーキKI4ACID 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)
物性
構造計算による物性
- 極性表面積
- 669 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 36
- 回転可能結合数
- 15
- 重原子数
- 94
- 形式電荷
- 0
- 複雑度
- 968
実験および物理化学的性質
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
物理化学的性質
- 比重(密度)
- 0.341 · 0.341[at 20℃]
- 溶解性
- 600 mg/L · 600mg/L in organic solvents at 20 ℃
- 酸解離定数(Pka)
- 0 · 0[at 20 ℃]
- 臭い (Odor)
- 無臭
- 水溶解度
- 561.286 mg/L · 561.286mg/L at 30℃
- 化粧品成分の機能
- ヘアカラーリング
- LogP
- 0.028 at · 0.028 at 25℃
- EPAの化学物質情報
- 100 · C.I. Pigment Yellow 100 (12225-21-7)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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.
化学と産業
用途と製造
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
応用分野
使用Food Yellow no. 4 Aluminum Lake is a synthetic organic pigment. Dyes and metabolites, Environmental Testing.
一般的な説明Yellow to greenish-yellow powder.
調製方法
製造方法4-Aminobenzenesulfonic aciddiazo, and 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acidcoupled into aluminum salt deposit into color.
上流・下流製品情報
上流原料
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