基本情報
- 標準SMILES
O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I- InChIKey
OALHHIHQOFIMEF-UHFFFAOYSA-N- 分子式
- C20H8I4O5
- 平均分子量
- 835.9 g/mol
- 単同位体質量
- 835.65506536
概要
Fd&c red no. 3 is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").<br /> Fd&c red no. 3 belongs to the family of Xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.
名称と識別子
- 優先名称
- Erythrosine
- IUPAC
- 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
- 現地名
- テトラヨードフルオレセイン
- 英語名
- ERYTHROSIN B
- 分子式
- C20H8I4O5
- 分子量
- 835.89
名称と別名
名称をさらに表示
データベース識別子
- CAS
15905-32-5、16423-68-0- PubChem CID
- 3259
- DTXSID
DTXSID7044843- ChEMBL
CHEMBL1332616- UNII
- 1A878FZQ9B
- EC Number
- 240-046-0
- Nikkaji
- J25.137B
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 76 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 0
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 645
実験および物理化学的性質
Physical Description
Liquid; Other Solid
Red powder or granules.
Solid
物理化学的性質
- 融点
- 303 °C · 303 °C (dec.)(lit.)
- 沸点
- 628.3 · 628.3±55.0 °C(Predicted)
- 比重(密度)
- 2.4391 · 2.4391 (estimate)
- 貯蔵温度
- room temp
- 溶解性
- 精神: 溶ける
- 外見
- 粉
- 酸解離定数(Pka)
- 7.21 · 7.21±0.20(Predicted)
- 色
- 赤
- 水溶解度
- 水、蒸留酒、メタノール、メチルセロソルブ、エタノールに溶ける。
- 主な用途
- 診断アッセイの製造血液学組織学
- InChI
- 1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
- InChIKey
- OALHHIHQOFIMEF-UHFFFAOYSA-N
- SMILES
- Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I
- EPAの化学物質情報
- 2 · 2',4',5',7'-Tetraiodofluorescein (15905-32-5)
化学的性質
化学的特性orange-red fine powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 94.9% (37 of 39) of all reports.
Not Classified
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt
Regulation (EC) No 1333/2008 (amended)
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) 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)
Erythrosine: Does not have an individual approval but may be used under an appropriate group standard
毒性情報
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LM5940000
- 毒性
- A food color formerly approved for use in the United States and Europe. It was used primarily in jams and marmalades, maraschino cherries, pickles and relishes, etc. The LD50 in rats is 150 mg/kg, i.p., and 600 mg/kg, p.o. Erythrosine has a variety of actions in vitro due in large measure to its ability to affect biological membranes and lipophilic sites of enzymes. Such data have led to the hypothesis that erythrosine could be neurotoxic, but both clinical and preclinical data have suggested that erythrosine is not likely to be neurotoxic at doses that might be encountered. Two other toxicological issues have been raised with this food color. It has been suggested to be a potential, if weak, carcinogen, and it may also contribute to potential thyroid toxicity resulting from release of iodine.
- hs_code
- 29329990
- 安衛法
- 57,57-2
- safety_code
- 22-24/25
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
用途と製造
Use Classification
Food additives
Food Additives -> COLOUR -> JECFA Functional Classes
Food Additives -> COLOUR -> JECFA Functional Classes
Food Additives -> COLOUR -> JECFA Functional Classes
Cosmetics -> Hair dyeing; Cosmetic colorant
General Manufacturing Information
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-: ACTIVE
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2): ACTIVE
応用分野
用途染料。第四級アンモニウム塩の抽出吸光光度定量。
使用Erythrosin B is used as a red coloring in some foods such as cherries and fish. It is used as printing ink, dental plaque disclosing agent and biological stain. It finds application as a radiopaque medium and sensitizer for orthochromatic photographic films. It is utilized as a cake-decorating gel. In addition to this, it is used in sweets such as candies and popsicles.
調製方法
製造方法Fluorescein (C.I.Acid Yellow 73, C.L 45350) in aqueous solution or Tetraiodide in ethanol, and made the free acid form.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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