データを補完しています。通常は 1 分以内に完了します
基本情報
- CAS
3458-72-8- 標準SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]- InChIKey
YWYZEGXAUVWDED-UHFFFAOYSA-N- 分子式
- C6H8O7.3H3N
- 平均分子量
- 243.22 g/mol
- 単同位体質量
- 243.10664988
概要
Triammonium citrate is a citrate salt in which all three carboxy groups are deprotonated and associated with ammonium ions as counter-cations. It has a role as a buffer and a food emulsifier. It is an ammonium salt and a citrate salt.
名称と識別子
- 優先名称
- Triammonium citrate
- IUPAC
- triazanium;2-hydroxypropane-1,2,3-tricarboxylate
名称と別名
Triammonium citrate3458-72-8Ammonium citrate tribasicAmmonium citrate (3:1)Citric acid triammonium salt1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt2-Hydroxy-1,2,3-propanetricarboxylic acid triammonium salttriammonium 2-hydroxypropane-1,2,3-tricarboxylateAMMONIUM CITRATE, TRIBASICEINECS 222-394-5J90A52459RINS NO.380
名称をさらに表示
CHEBI:63037AMMONIUM CITRATE [MART.]DTXSID10889469INS-380tri(azaniumyl) 2-hydroxypropane-1,2,3-tricarboxylateAMMONIUM CITRATE, TRIBASIC [FCC]1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3)2-hydroxy-1,2,3-propanetricarboxylic acid, ammonium salt (1:3)
データベース識別子
- CAS
3458-72-8- PubChem CID
- 18954
- DTXSID
DTXSID10889469- ChEBI
CHEBI:63037- UNII
- J90A52459R
- EC Number
- 222-394-5
物性
構造計算による物性補完中
- 極性表面積
- 144 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 211
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Ammonium Compounds
SolubilityFreely soluble in water
Physical Description
Liquid
White to off-white crystals or powder
White solid; [JECFA] White crystalline powder; [Alfa Aesar MSDS]
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (7 of 278) of reports.
Warning
H315 (45%): 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 278 reports by companies from 16 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: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3) 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)
Status: Active Update: 30-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30305
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triammonium salt: Human health tier I assessment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Citric acid.
Hazard Classes and CategoriesSkin Irrit. 2 (45%)
化学と産業
用途と製造
UsesUsed as a buffering agent; [JECFA]
U.S. Production2023: 155,604 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
Use Classification
Food additives
Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes
Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes
Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes
Food Additives -> ACIDITY_REGULATOR -> JECFA Functional Classes
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:3): ACTIVE
関連反応
48 件
化合物ノート
読み込み中…