基本情報
- CAS
2001-94-7- 標準SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[K+].[K+]- InChIKey
QLBHNVFOQLIYTH-UHFFFAOYSA-L- 分子式
- C10.H14.N2.O8.2K
- 平均分子量
- 368.42 g/mol
- 単同位体質量
- 368.0024284
名称と識別子
- 優先名称
- edetate dipotassium anhydrous
- IUPAC
- dipotassium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
- 現地名
- ＥＤＴＡ－２Ｋ
- 英語名
- Dipotassium EDTA
- 分子式
- C10H17KN2O8
- 分子量
- 332.35
名称と別名
Edetate dipotassiumDipotassium EDTAEdetate dipotassium anhydrous2001-94-7Dipotassium ethylenediaminetetraacetateEDTA, DIPOTASSIUMEINECS 217-895-0421KAV3DHTDipotassium dihydrogen ethylenediaminetetraacetateEdetate dipotassium [USAN](Ethylenedinitrilo)tetraacetate dipotassium salt3W5S57M958
名称をさらに表示
ＥＤＴＡ－２Ｋ二カリウム＝2，2’-（｛2-［ビス（カルボキシメチル）アミノ］エチル｝イミノ）ジアセタートEDTA DIPOTASSIUM SALTEDTA.K2Dipotassium EDTA dihydrateDipotassium EDTA ISO 9001：2015 REACHdipotassiumethylenediaminetetraacetateDikaliumdihydrogenethylendiamintetraacetatDipotassium ethylenediaminetetraacetic acidETHYLENE DIAMINETETRA ACETIC ACID DIPOTASSIUM(ethylenedinitrilo)tetraacetatedipotassiumsalt
DTXSID3058612ACETIC ACID, (ETHYLENEDINITRILO)TETRA-, DIPOTASSIUM SALTEC 217-895-0Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, dipotassium saltGlycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium saltN,N'-1,2-Ethanediylbis(N-(carboxymethyl)glycine), dipotassium saltGlycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, dipotassium salt, dihydrateDIPOTASSIUM DIHYDROGEN (ETHYLENEDINITRILO)TETRAACETATE
データベース識別子
- CAS
2001-94-7、25102-12-9- PubChem CID
- 16156
- DTXSID
DTXSID3058612- ChEMBL
CHEMBL2103918、CHEMBL2219741- UNII
- 3W5S57M958
- EC Number
- 217-895-0
物性
構造計算による物性
- 極性表面積
- 161 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 336
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Dipotassium EDTA) -> CIR (Cosmetic Ingredient Review)
Chelating
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
物理化学的性質
- 比重(密度)
- 1.767 · 1.767-1.8[at 20℃]
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 水溶解度
- 108 g/L · 108g/L at 20-25℃
- 化粧品成分の機能
- キレート化
- InChI
- InChI=1S/C10H16N2O8.K.H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;
- InChIKey
- UCWFIIRKRSXKQO-UHFFFAOYSA-N
- SMILES
- N(CC(=O)O)(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[KH]
- LogP
- -4.3 · -4.3--3.86 at 25℃
- CAS データベース
- 2001 · 2001-94-7(CAS DataBase Reference)
- EPAの化学物質情報
- -1 · Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt (2001-94-7)
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 2.3% (4 of 176) of reports.
Warning
H302 (14.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 176 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Glycine, N,Nâ²-1,2-ethanediylbis[N-(carboxymethyl)-, potassium salt (1:2)
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, potassium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, potassium 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)
REACH registered substance: Dipotassium dihydrogen ethylenediaminetetraacetate (EC: 217-895-0)
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt: Does not have an individual approval but may be used under an appropriate group standard
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt, dihydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt: Human health tier I assessment
IMAP assessments - Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt, dihydrate: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (14.2%)
化学と産業
用途と製造
UsesCIR ingredient: Dipotassium EDTA
U.S. Production2023: 171,884 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesIntermediate
Household ProductsInformation on 3 consumer products that contain Edetate dipotassium in the following categories is provided:
Use ClassificationCosmetics -> Chelating
General Manufacturing Information
Miscellaneous Manufacturing
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, potassium salt (1:2): ACTIVE
応用分野
使用Pharmaceutic aid (chelating agent).
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