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二酢酸カルシウム

Calcium Acetate

HCID 6116
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
62-54-4
標準SMILES
CC(=O)[O-].CC(=O)[O-].[Ca+2]
InChIKey
VSGNNIFQASZAOI-UHFFFAOYSA-L
分子式
C4H6O4.Ca
平均分子量
158.17 g/mol
単同位体質量
157.98919965

概要

Calcium acetate is the calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces. It has a role as a chelator. It contains an acetate.

名称と識別子

優先名称
Calcium Acetate
IUPAC
calcium diacetate
現地名
二酢酸カルシウム
英語名
Calcium acetate
分子式
C4H6CaO4
分子量
158.17

名称と別名

Calcium acetate62-54-4Calcium diacetateAcetic acid, calcium saltLime acetatePhosLoLime pyroligniteAcetate of limeTeltozanBrown acetateGray Acetate of LimeBrown Acetate of Lime
名称をさらに表示
二酢酸カルシウムグレイアセタートテルトザンライムアセタートサノパンリムピロリグニット酢酸石灰ソルボ-カルシオンライムピロリグニット酢酸カルシウムライムピロリグナイトブラウンアセタートカルシウムアセタート酢酸Ca酢酸カルシウム一水和物カルシウム=ジアセタート0.01MOL/L 酢酸カルシウム溶液0.1MOL/L 酢酸カルシウム溶液酢酸カルシウム (AS)Calcium Acetate AnhydrousFEMA 2228grayacetatelimeacetatevinegarsaltsbrownacetateMAGGRAN(R) CA
PhoslyraSorbo-calcionGray acetatePhoslo Gelcapscalcium ethanoateFEMA No. 2228EliphosCalcarea acetica

データベース識別子

CAS
62-54-4
PubChem CID
6116
DTXSID
DTXSID0020234
ChEMBL
CHEMBL1200800
ChEBI
CHEBI:3310
UNII
Y882YXF34X
EC Number
200-540-9
Nikkaji
J4.823B

物性

構造計算による物性補完中

極性表面積
80.3 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
0
重原子数
9
形式電荷
0
複雑度
25.5

実験および物理化学的性質

Chemical ClassesMetals -> Organic Acids, Metal Salts
Cosmetics · 2 件

Cosmetic ingredients (Calcium Acetate) -> CIR (Cosmetic Ingredient Review)

Viscosity controlling

pH · 2 件

6,0-9,0 (10 % aqueous solution)

0.2 molar aq soln: 7.6 /Monohydrate form/

OdorSLIGHT ODOR OF ACETIC ACID
Food AdditivesCOLOR OR COLORING ADJUNCT, FIRMING AGENT, FLAVORING AGENT OR ADJUVANT, PH CONTROL AGENT, PROCESSING AID, SEQUESTRANT, STABILIZER OR THICKENER, TEXTURIZER -> FDA Substance added to food
Density · 3 件

1.50 kg/l

1.5 g/cm³

1.5 @25 °C

Color/Form · 3 件

COLORLESS CRYSTALS

Rod-shaped crystals

White, hydrogroscopic, crystalline solid

Solubility · 3 件

37.4 G IN 100 CC OF WATER @ 0 °C; 29.7 G IN 100 CC OF WATER @ 100 °C; SLIGHTLY SOL IN ALCOHOL

Practically insol in acetone and benzene

Solubility in water: very good

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

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 · 5 件

This chemical does not meet GHS hazard criteria for 88.9% (503 of 566) of all reports.

Warning

H315 (11%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 566 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: Acetic acid, calcium salt (2:1)

Directive (EC) No 46/2002

Acetic acid, calcium salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, calcium salt (2:1) 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: 27-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13608

Calcium acetate: Non hazardous

Other Safety InformationIMAP assessments - Acetic acid, calcium salt: Human health tier I assessment
Fire HazardsCombustible under specific conditions.
Hazards SummaryClassified as generally recognized as safe (GRAS) in food; [HSDB] Poisonous by intravenous route; IV LD50 (mouse) = 52 mg/kg; [Sax] A skin, eye, and respiratory tract irritant; [ICSC] An irritant; [MSDSonline] See Calcium.
FDA Requirements · 3 件

Substance added directly to human food affirmed as generally recognized as safe (GRAS).

Calcium acetate is an indirect food additive for use as a component of resinous and polymeric coatings.

化学と産業

薬理情報

ATC Code · 2 件

V - Various

QV - Various

Pharmacodynamics · 1 件

Patients with advanced renal insufficiency (creatinine clearance less than 30 ml/min) exhibit phosphate retention and some degree of hyperphosphatemia. The retention of phosphate plays a pivotal role in causing secondary hyperparathyroidism associated with osteodystrophy, and soft-tissue calcification. The mechanism by which phosphate retention leads to hyperparathyroidism is not clearly delineated. Therapeutic efforts directed toward the control of hyperphosphatemia include reduction in the dietary intake of phosphate, inhibition of absorption of phosphate in the intestine with phosphate binders, and removal of phosphate from the body by more efficient methods of dialysis. The rate of removal of phosphate by dietary manipulation or by dialysis is insufficient. Dialysis patients absorb 40% to 80% of dietary phosphorus. Therefore, the fraction of dietary phosphate absorbed from the diet needs to be reduced by using phosphate binders in most renal failure patients on maintenance dialysis. Calcium acetate when taken with meals combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces. Maintenance of serum phosphorus below 6.0 mg/dl is generally considered as a clinically acceptable outcome of treatment with phosphate binders. Calcium acetate is highly soluble at neutral pH, making the calcium readily available for binding to phosphate in the proximal small intestine.

Mechanism of ActionCalcium acetate and other calcium salts are phosphate binders. They work by binding with the phosphate in the food you eat, so that it is eliminated from the body without being absorbed.
FDA Pharmacological Classification · 4 件

CALCAREA ACETICA

Increased Coagulation Factor Activity [PE]; Blood Coagulation Factor [EPC]; Cations, Divalent [CS]; Calcium [CS]

CALCIUM ACETATE

Blood Coagulation Factor [EPC]; Phosphate Binder [EPC]; Increased Coagulation Factor Activity [PE]; Phosphate Chelating Activity [MoA]; Calcium [CS]; Cations, Divalent [CS]

MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

関連反応

58 件
反応記録を作成
HRID 258176 の反応式
HRID 258176生成物としてuspto-grants-1993_11
HRID 258177 の反応式
HRID 258177生成物としてuspto-grants-1993_11
HRID 321904 の反応式
HRID 321904反応物としてuspto-grants-2001_04
HRID 326947 の反応式
HRID 326947反応物としてuspto-grants-1993_12
HRID 326948 の反応式
HRID 326948反応物としてuspto-grants-1993_12
HRID 328303 の反応式
HRID 328303反応物としてuspto-grants-1977_04
HRID 359340 の反応式
HRID 359340反応物としてuspto-grants-1991_03
HRID 359651 の反応式
HRID 359651反応物としてuspto-grants-1991_03
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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
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FDA approved drugs -> Active ingredient

Decomposition · 2 件

When heated to decomposition ... emits acrid smoke and fumes.

160 °C

Melting Point> 160 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

融点
160 °C · 160°C (dec.)
比重(密度)
1 · 1,5 g/cm3
屈折率
1.55 · 1.5500
FEMA
2228 · 2228 | CALCIUM ACETATE
闪点
160 °C · 160°C
貯蔵温度
Hygroscopic, Room Temperature, under inert atmosphere
溶解性
2 O: · H2O: 1M at20℃、透明、無色
外見
粉
色
白い
比重
1.5 · 1.50
PH
8 · 8(1 mM solution);8.43(10 mM solution);8.77(100 mM solution);9.13(1000 mM solution)
臭い (Odor)
穏やかな酢酸
においのタイプ
酢酸
水溶解度
溶ける
Decomposition
160 · 160 ºC
安定性
安定。不燃性。強力な酸化剤とは相容れない。
主な用途
医薬品(低分子化合物)
化粧品成分の機能
粘度制御香料
InChI
1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey
VSGNNIFQASZAOI-UHFFFAOYSA-L
SMILES
CC(=O)O[Ca]OC(C)=O
LogP
-0.29 · -0.29
CAS データベース
62 · 62-54-4(CAS DataBase Reference)
EPAの化学物質情報
Calcium acetate (62-54-4)
化学的性質 · 3 件

化学的特性カルシウム酢酸塩は化学式でCaC2H3O22と表される化合物ですこの物質は科学や工業のさまざまな分野で使用されていますが多くの人にとってはあまりなじみのないものかもしれません本記事ではカルシウム酢酸塩の基本的な特性や用途について説明します

化学的特性Calcium acetate occurs as a white or almost white, odorless or almost odorless, hygroscopic powder.

化学性质カルシウム酢酸塩は無色から白色の固体であり水に対する溶解性が高い特徴を持っていますこの物質は酢酸とカルシウムイオンが反応して生成されます化学反応式は以下の通りです

Calcium acetate used as a sequestrant is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

EPA Safer ChemicalChemical: Calcium acetate
Chemical DangersDecomposes above 160 °C . This produces acetone vapour and calcium carbonate. Reacts violently with strong acids. This produces acetic acid fumes.
Hazard Classes and CategoriesSkin Irrit. 2 (11%)

安全と保護具

Fire FightingUse water spray, powder.
First Aid Measures · 4 件

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageSeparated from strong acids. Dry. Well closed.
Storage ConditionsKEEP WELL CLOSED.
Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. Wash away remainder with plenty of water.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.

毒性情報

InteractionsConcurrent administration /of calcium acetate and oral tetracyclines/ may decrease the bioavailability of tetracyclines.
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Signs and Symptoms · 4 件

Cough. Sore throat.

Redness.

Redness. Pain.

Diarrhoea. Vomiting.

Human Toxicity ExcerptsPoison by intravenous and intraperitoneal routes.
Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Calcium acetate

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Non-Human Toxicity Values · 2 件

LD50 Mouse ip 75 mg/kg

LD50 Mouse iv 52 mg/kg

法規制情報

FDA Requirements · 3 件

Substance added directly to human food affirmed as generally recognized as safe (GRAS).

Calcium acetate is an indirect food additive for use as a component of resinous and polymeric coatings.

Calcium acetate used as a sequestrant is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

安全データ

wgk
1
tsca
TSCA listed
rtecs
AF7525000
hs_code
29152990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
ストレージクラス
13 - Non Combustible Solids
有毒物質データの
62-54-4(Hazardous Substances Data)
Absorption, Distribution and Excretion · 2 件

40% is absorbed in the fasting state and approximately 30% is absorbed in the nonfasting state following oral administration.

Calcium acetate when taken with meals, combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces.

用途と製造

Uses · 6 件

CIR ingredient: Calcium Acetate

Used in dyeing, tanning, and curing skins; Also used in lubricants, food stabilizers, corrosion inhibitors, antifoam additives in antifreezes, and antiseptics ; Also used as a firming agent for potatoes, an esterification catalyst, and a drug to restrict phosphate absorption in patients with chronic renal failure and oxalate absorption in patients with inflammatory bowel disease; [HSDB]

Using Disinfectants or Biocides [Category: Clean]

Preparing and mounting animal skins (taxidermy) [Category: Hobbies]

Mfr of acetic acid, acetone; in dying, tanning and curing skins; in lubricants; as food stabilizer; as corrosion inhibitor.

One of the more commonly used antifoam additives in /modern/ formulated antifreezes

U.S. Imports(1984) 6.40X10+7 g
U.S. Production · 2 件

2023: 400,000 - <550,000 lb

(1984) 3.28X10+8 g

Consumer UsespH regulating agent
Industry UsespH regulating agent
Methods of Manufacturing · 3 件

Gmelin's, Calcium (8th ed) 28B, 162-164, 982-991 (1958); Electrolytic prepn: Schmidt, Z Anorg Allgem Chem 270, 188 (1952).

Action of pyroligneous acid on calcium hydroxide; the solution being filtered and evaporated to dryness yields gray acetate of lime. /Monohydrate/

Calcium acetate is produced by passing acetic acid vapor over heated lime

Formulations/Preparations · 2 件

Grades: Technical (80% basis); reagent; CP; pure; brown; gray; FCC /Monohydrate/

Powder: food, pharmaceutical grades; agglomerated, technical, USP, FCC grades; purified grade

Household ProductsInformation on 17 consumer products that contain Calcium Acetate in the following categories is provided:
Use Classification · 5 件

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Food additives

Food Additives -> ACIDITY_REGULATOR; PRESERVATIVE; STABILIZER -> JECFA Functional Classes

Cosmetics -> Viscosity controlling

General Manufacturing Information · 4 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Acetic acid, calcium salt (2:1): ACTIVE

/EFFECTIVE LEVEL OF CALCIUM ACETATE AGAINST ROPE IS 0.4-1.0%./

FEMA NUMBER 2228

応用分野 · 5 件

解説Ca(CH3COO)2(158.18).酢酸カルシウムは,酢酸と水酸化カルシウムまたは炭酸カルシウムとを反応させ,濾過したのち濃縮し,冷却すると二水和物(無色の結晶)が得られる.二水和物を熱すると84 ℃ で一水和物(無色の結晶)が,また100 ℃ で無水物(白色の粉末)が得られる.無水物は吸湿性があり,160 ℃ 以上で乾留するとアセトンとCaCO3とに分解する(アセトンの実験室的製法).二水和物を空気中に放置すると徐々に結晶水の一部を失って一水和物となる.いずれも水に可溶,エタノールに難溶.アセトン,酢酸,酢酸塩の製造,染色,皮なめし,食品安定化剤,プラスチックの安定剤,医薬品などに用いられる.[CAS 62-54-4:Ca(CH3COO)2][CAS 5473-26-0:Ca(CH3COO)2・H2O] 森北出版「化学辞典(第2版)

用途医薬品原料、アセトン、酢酸等の製造原料

説明Calcium acetate is a chemical compound which is calcium salt of acetic acid. It has the formula Ca(C2H3O2)2. Its standard name is calcium acetate, while calcium ethanoate is the systematic name. An older name is acetate of lime. The anhydrous form is very hygroscopic; therefore the monohydrate (Ca(CH3COO)2H2O) is the common form.

使用Calcium Acetate is the calcium salt of acetic acid which functions as a sequestrant and mold control agent. it contains approximately 25% calcium. it is a white odorless powder which is readily soluble in water with a solubility of approximately 37 g in 100 g water at 0°c. its solubility decreases with increasing temperature, with a sol- ubility of approximately 29 g in 100 g of water at 100°c.

一般的な説明Calcium Acetate belongs to the group of calcium salts, widely used as phosphorus binders in patients with chronic renal failure.Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

調製方法 · 3 件

Calcium acetate can be prepared by soaking calcium carbonate (found in eggshells, or in common carbonate rocks such as lime stone or marble) in vinegar: CaCO3 + 2CH3COOH → Ca(CH3COO)2 + H2O + CO2 Since both reagents would have been available pre-historically, the chemical would have been observable as crystals then.

製造方法Produced by calcium hydroxide neutralization of acetic acid.

純化方法Recrystallise it from water (3mL/g) by partial evaporation in a desiccator. [Beilstein 2 IV 113.]

上流・下流製品情報

上流原料

Anhydrous calcium acetateモリブデン酸二ナトリウム·2水和物炭酸カルシウム炭酸カルシウム(II)(1:1)カルシウムオキシド酢酸カルシウム一水和物酢酸Pyroligneous acid水酸化カルシウム二硝酸カルシウム·4水和物酢酸アミル

下流製品

酢酸ナトリウムアセトンカルシウムジフルオリドアセトフェノンアセトアルデヒド胎盤性性腺刺激ホルモン2-ペンタノン3-アセチルピリジン
補足説明 · 2 件

定義本品は、酢酸(*)のカルシウム塩であり、次の化学式で表される。参照表示名称:酢酸

定義ChEBI: The calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces.