テトラヨードフルオレセイン

Erythrosine

HCID 3259CAS 15905-32-5

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

ERYTHROSINEE1273',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-oneFD & C red no. 33',6'-dihydroxy-2',4',5',7'-tetraiodospiro(2-benzofuran-3,9'-xanthene)-1-oneFDC Red No. 3RefChem:591122Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt16423-68-0Erythrosine, sodium anhydrousNSC-36685Erythrosin B
名称をさらに表示
テトラヨードフルオレセイン2',4',5',7'-テトラヨード-3',6'-ビス(ヒドロキシ)スピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オン2',4',5',7'-テトラヨードフルオレセイン3,6-ジヒドロキシ-2,4,5,7-テトラヨードスピロ[9H-キサンテン-9,1'(3'H)-イソベンゾフラン]-3'-オンテトラヨードフルオレッセイン2',4',5',7'-テトラヨード-3',6'-ジヒドロキシスピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オンヨーデオシン3',6'-ジヒドロキシ-2',4',5',7'-テトラヨードスピロ[イソベンゾフラン-1(3H),9'-[9H]キサンテン]-3-オンエリスロシンB(アルコール溶性)ヨードエオシン(テトラヨードフルオレセイン)3’,6’-ジヒドロキシ-2’,4’,5’,7’-テトラヨード-3H-スピロ[2-ベンゾフラン-1,9’-キサンテン]-3-オン2′,4′,5′,7′-テトラヨード-3′,6′-ビス(ヒドロキシ)スピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン3',6'-ジヒドロキシ-2',4',5',7'-テトラヨード-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3-オン3,6-ジヒドロキシ-2,4,5,7-テトラヨードスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン2′,4′,5′,7′-テトラヨード-3′,6′-ジヒドロキシスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン3′,6′-ジヒドロキシ-2′,4′,5′,7′-テトラヨードスピロ[イソベンゾフラン-1(3H),9′-[9H]キサンテン]-3-オン2′,4′,5′,7′-テトラヨードフルオレセイン2-(6-ヒドロキシ-3-オキソ-2,4,5,7-テトラヨード-3H-キサンテン-9-イル)安息香酸ソルベントレッド140標準品ERYTHROSINtraiodo-Nsc328781cherry redBErythrosiIODOEOSINECI 45430:2tetraiodo-
Tetraiodofluorescein15905-32-5Solvent Red 140IodeosinErythrosine acidErythrosine, phenolic2',4',5',7'-Tetraiodofluorescein2,4,5,7-Erythrosin

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

実験および物理化学的性質

CosmeticsHair dyeing; Cosmetic colorant
Solubility0.7 mg/mL
Melting Point303 °C
Physical Description · 3 件

Liquid; Other Solid

Red powder or granules.

Solid

Collision Cross Section217.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7021233]

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

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 · 3 件

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 · 4 件

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

Hazard Classes and CategoriesNot Classified

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

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

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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.

Cellular LocationsMembrane

用途と製造

U.S. Production2023: 108,000 lb
Consumer UsesPigment
Use Classification · 5 件

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 · 2 件

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 · 2 件

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

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

関連反応

6 件

関連ノート

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