基本情報
- CAS
157009-77-3- 標準SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]- InChIKey
DRMGPYZYTIATOW-BNIFLCCKSA-N- 分子式
- C10H12FeN2O8.Na
- 平均分子量
- 367.05 g/mol
- 単同位体質量
- 366.98407
概要
See also: Ferric cation (has active moiety) ... View More ...
名称と識別子
- 優先名称
- Sodium Feredetate
- IUPAC
- sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+)
- 英語名
- Diisoarachidyl Dilinoleate
- 分子量
- 0
名称と別名
15708-41-5Sodium feredetateEDTA ferric sodium saltEDTA iron(III) sodium saltFerric sodium EDTAFerrazoneSodium Iron EDTASytronEthylenediaminetetraacetic acid ferric sodium saltSequestrene NaFesodium iron edetatesybron
名称をさらに表示
DIISOARACHIDYL DILINOLEATE9,12-Octadecadienoic acid (9Z,12Z)-, dimer, diisoeicosyl ester
Sodium ironedetateDTXSID5027774Sodium ferric EDTAFerric sodium edetateFerrostraneMonosodium ferric EDTAFeredato sodicoNatrii feredetas
データベース識別子
- CAS
157009-77-3、15708-41-5、18154-32-0- PubChem CID
- 27461
- DTXSID
DTXSID5027774- ChEMBL
CHEMBL1705709- UNII
- 403J23EMFA
- EC Number
- 239-802-2、803-202-4
- Nikkaji
- J2.239.441J
物性
構造計算による物性
- 極性表面積
- 167 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 293
実験および物理化学的性質
Chemical ClassesMetals -> Organic Acids, Metal Salts
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
CBI; Large Crystals; Other Solid; Dry Powder; Liquid; Other Solid; Liquid; Large Crystals; Liquid
Light yellow solid; [JECFA] Yellowish-brown odorless powder; Insoluble in water;
物理化学的性質
- CAS データベース
- 157009 · 157009-77-3
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 58.8% (270 of 459) of all reports.
Warning
H315 (40.5%): 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 459 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 73.2% (104 of 142) of all reports.
危険有害性情報
Regulatory Information
Chemical: Ferrate(1-), [[N,Nâ²-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, sodium, hydrate (1:1:3), (OC-6-21)-
Chemical: Ferrate(1-), [[N,Nâ²-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, sodium (1:1), (OC-6-21)-
Directive (EC) No 46/2002
Regulation (EC) No 178/2002 (amended)
Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, sodium (1:1), (OC-6-21)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, sodium (1:1), (OC-6-21)- 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: Sodium feredetate (EC: 239-802-2)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards Summary
Causes changes in liver weight and changes in iron in oral lethal-dose studies of rats; [RTECS] An eye irritant; Not a skin sensitizer; Has demonstrated little or no toxic effects; [Reference #1] Safe when used as a nutritional supplement in supervised food fortification programs; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Edetic acid.
Hazard Classes and Categories
Skin Irrit. 2 (40.5%)
Skin Irrit. 2 (26.8%)
毒性情報
Toxicity DataLC50 (rat) > 2,050 mg/m3/4hr
化学と産業
薬理情報
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
MeSH Pharmacological Classification
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.
用途と製造
Uses
Used as a source of iron in foods and supplements; [Merck Index] 6% active ingredient in a pelleted bait used as a molluscicide for agricultural, nursery, greenhouse, turf, and residential applications; Also used as a micronutrient in agriculture and catalyst in the chemical industry; [Reference #1] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Farming (Pesticides) [Category: Industry]
U.S. Production2023: 4,000,000 - <5,500,000 lb
Consumer UsesChelating agent
Industry UsesChelating agent
Household ProductsInformation on 47 consumer products that contain Ferric sodium EDTA in the following categories is provided:
Use Classification
Food Additives -> NUTRIENT_SUPPLEMENT -> JECFA Functional Classes
Food Additives -> NUTRIENT_SUPPLEMENT -> JECFA Functional Classes
Food Additives -> NUTRIENT_SUPPLEMENT -> JECFA Functional Classes
Food Additives -> NUTRIENT_SUPPLEMENT -> JECFA Functional Classes
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, sodium (1:1), (OC-6-21)-: ACTIVE
応用分野
使用diisoarachidyl dilinoleate is a liquid wax emollient that provides good product spreadability. It may replace mineral oil in skin care preparations.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…