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아세트산 칼슘

Calcium Acetate

HCID 6116
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
62-54-4
표준 SMILES
CC(=O)[O-].CC(=O)[O-].[Ca+2]
InChIKey
VSGNNIFQASZAOI-UHFFFAOYSA-L
분자식
C4H6O4.Ca
평균 분자량
158.17 g/mol
단동위원소 질량
157.98919965

개요

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.

이름 및 식별자

우선 이름
Calcium Acetate
IUPAC
calcium diacetate
현지명
아세트산 칼슘
영어명
Calcium acetate
분자식
C4H6CaO4
분자량
158.17

이름 및 동의어

Calcium acetate62-54-4Calcium diacetateAcetic acid, calcium saltLime acetatePhosLoLime pyroligniteAcetate of limeTeltozanBrown acetateGray Acetate of LimeBrown Acetate of Lime
이름 더 보기
아세트산칼슘아세트산칼슘칼슘아세테이트라임 아세테이트아세트산 칼슘아세트산, 칼슘아세트산, 칼슘 염아세트산, 칼슘 염 (2:1)칼슘 다이(아세테이트)칼슘 다이아세테이트회색 아세테이트Calcium Acetate AnhydrousFEMA 2228grayacetatelimeacetatevinegarsaltsbrownacetateMAGGRAN(R) CA
PhoslyraSorbo-calcionGray acetatePhoslo Gelcapscalcium ethanoateFEMA No. 2228EliphosCalcarea acetica

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

극성 표면적
80.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
9
형식 전하
0
복잡도
25.5

실험 및 물리화학적 성질

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

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

Viscosity controlling

pH · 2건

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 · 3건

1.50 kg/l

1.5 g/cm³

1.5 @25 °C

Color/Form · 3건

COLORLESS CRYSTALS

Rod-shaped crystals

White, hydrogroscopic, crystalline solid

Solubility · 3건

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 · 2건

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 5건

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 · 3건

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.

화학 및 산업

약리 정보

ATC Code · 2건

V - Various

QV - Various

Pharmacodynamics · 1건

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 · 4건

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.

관련 반응

58건
반응 기록 만들기
HRID 258176 반응식
HRID 258176생성물로uspto-grants-1993_11
HRID 258177 반응식
HRID 258177생성물로uspto-grants-1993_11
HRID 321904 반응식
HRID 321904반응물로uspto-grants-2001_04
HRID 326947 반응식
HRID 326947반응물로uspto-grants-1993_12
HRID 326948 반응식
HRID 326948반응물로uspto-grants-1993_12
HRID 328303 반응식
HRID 328303반응물로uspto-grants-1977_04
HRID 359340 반응식
HRID 359340반응물로uspto-grants-1991_03
HRID 359651 반응식
HRID 359651반응물로uspto-grants-1991_03
1 / 8 페이지

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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새 노트새 반응견적 요청하기

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Decomposition · 2건

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

물리화학적 성질

녹는점
160 °C · 160°C (dec.)
밀도
1 · 1,5 g/cm3
굴절률
1.55 · 1.5500
FEMA
2228 · 2228 | CALCIUM ACETATE
인화점
160 °C · 160°C
저장 조건
Hygroscopic, Room Temperature, under inert atmosphere
용해도
2 O: · H2O: 1 M at 20 °C, 투명, 무색
물리적 상태
가루
색상
하얀색
Specific Gravity
1.5 · 1.50
수소이온지수(pH)
8 · 8(1 mM solution);8.43(10 mM solution);8.77(100 mM solution);9.13(1000 mM solution)
냄새
약한 아세트산
냄새 유형
초의
수용성
녹는
안정성
안정적인. 불연성. 강한 산화제와 호환되지 않습니다.
주요 응용
의약품(소분자)
화장품 원료 기능
점도 조절향기
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
EPA
Calcium acetate (62-54-4)

화학적 성질

Calcium acetate occurs as a white or almost white, odorless or almost odorless, hygroscopic powder.

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%)

안전 및 보호

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

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 · 1건

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.

독성 정보

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 · 4건

Cough. Sore throat.

Redness.

Redness. Pain.

Diarrhoea. Vomiting.

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

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 · 2건

LD50 Mouse ip 75 mg/kg

LD50 Mouse iv 52 mg/kg

규제 정보

FDA Requirements · 3건

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.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
AF7525000
HS 번호
29152990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
기존화학 물질
KE-04463
스토리지 클래스
13 - Non Combustible Solids
유해 물질 데이터
62-54-4(Hazardous Substances Data)
Absorption, Distribution and Excretion · 2건

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.

용도 및 제조

Uses · 6건

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 · 2건

2023: 400,000 - <550,000 lb

(1984) 3.28X10+8 g

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

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 · 2건

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 · 5건

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 · 4건

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

응용 분야 · 3건

개요Calcium 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.

용도Calcium 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.

일반 설명Calcium 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.

제조 방법 · 2건

생산 방법Calcium 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.

Produced by calcium hydroxide neutralization of acetic acid.

상·하류 제품 정보

상류 원료

Anhydrous calcium acetate몰리브데넘산 나트륨, 이수화물탄산칼슘석회석산화칼슘(생석회)아세트산 칼슘아세트산(빙초산)상수리나무목초액추출물수산화칼슘칼슘 질산, 테트라수화물N-아밀 아세테이트

하류 제품

아세트산 나트륨아세톤플루오르화칼슘아세토페논아세트알데히드융모성성선자극호르몬펜타논-23-아세틸피리딘
추가 설명 · 4건

순도시험(1) 염화물 : 이 품목 0.5g을 취하여 염화물시험법에 따라 시험할 때, 그 양은 0.01N 염산 0.7mL에 대응하는 양 이하이어야 한다. (2) 황산염 : 이 품목 0.24g을 취하여 황산염시험법에 따라 시험할 때, 그 양은 0.01N 황산 0.5mL에 대응하는 양 이하이어야 한다. (3) 불소화물 : 이 품목 1g을 정밀히 달아 「구연산칼슘」의 순도시험 (8)에 따라 시험한다(50ppm 이하). (4) 납 : 이 품목 5.0g을 취하여 원자흡광광도법 또는 유도결합플라즈마발광광도법에 따라 시험할 때, 그 양은 2.0ppm 이하이어야 한다. (5) 비소 : 이 품목을 비소시험법에 따라 시험할 때, 그 양은 4.0ppm 이하이어야 한다. (6) 수은 : 이 품목을 수은시험법에 따라 시험할 때, 그 양은 1.0ppm 이하이어야 한다.

확인시험이 품목의 수용액(1→10)은 확인시험법 중 칼슘염 및 초산염의 반응을 나타낸다.

정량법이 품목 약 0.3g을 정밀히 달아 묽은염산 2mL를 포함하는 물 150mL를 가하여 녹인다. 저으면서 0.05M 이.디.티.에이.용액 30mL를 가하고 수산화나트륨시액 15mL 및 히드록시나프톨블루(C20H12O11S3Na2) 0.3g을 가한 다음 0.05M 이.디.티.에이.용액으로 적정한다. 종말점은 적색이 완전히 소실되고 청색으로 된 때로 한다.0.05M 이.디.티.에이.용액 1mL = 7.909mg Ca(C2H3O2)2

정의ChEBI: 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.