기본 정보
- CAS
4075-81-4- 표준 SMILES
CCC(=O)[O-].CCC(=O)[O-].[Ca+2]- InChIKey
BCZXFFBUYPCTSJ-UHFFFAOYSA-L- 분자식
- C6H10O4Ca
- 평균 분자량
- 186.22 g/mol
- 단동위원소 질량
- 186.02049978
이름 및 식별자
- 우선 이름
- Calcium propionate
- IUPAC
- calcium propanoate
- 현지명
- 프로피온산칼슘
- 영어명
- Calcium Propionate
- 분자식
- C3H8CaO2
- 분자량
- 116.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4075-81-4- PubChem CID
- 19999
- DTXSID
DTXSID1027556- ChEMBL
CHEMBL3186661- UNII
- 8AI80040KW
- EC Number
- 223-795-8
- Nikkaji
- J3.064C
물성
구조 계산 물성
- 극성 표면적
- 80.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 34.6
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Color/Form
COLORLESS, MONOCLINIC TABLETS
Powder or monoclinic crystals
White powder
Solubility
SOLUBILITY IN 49 G/100 CC WATER @ 0 °C; 55.8 G/100 CC WATER @ 100 °C /HYDRATE/
Sol in water; slightly sol in methanol, ethanol; practically insol in acetone, benzene.
INSOL IN ALCOHOL
Physical Description
Dry Powder; CBI; Liquid
White crystalline powder
Colorless or white Solid; Soluble in water; [HSDB] White powder; Soluble in water; [MSDSonline]
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 밀도
- 1.41 · 1.41[at 20℃]
- 증기압
- 0 · 0-399Pa at 20-23℃
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 1 g/10mL, · 물: 용해성1g/10mL, 투명, 무색
- 물리적 상태
- 결정 또는 결정성 분말
- 색상
- 하얀색
- 수소이온지수(pH)
- 9.2 · 9.2 (200g/l, H2O, 20℃)(IUCLID)
- 냄새
- 100 · 100.00?%. 부드러운 순한 프로피온산
- 수용성
- 1 g/10mL · 1g/10mL
- Merck
- 14 · 14,1698
- BRN
- 3698682 · 3698682
- 안정성
- 안정적인. 흡습성. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 항균 방부제
- InChI
- 1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
- InChIKey
- BCZXFFBUYPCTSJ-UHFFFAOYSA-L
- SMILES
- CCC(=O)O[Ca]OC(=O)CC
- LogP
- 0.33 at · 0.33 at 25℃
- EPA
- Calcium propionate (4075-81-4)
화학적 성질
Calcium propionate is a white powder(s) or monoclinic crystal(s), crystallizes as the monohydrate in monoclinic plates and as the trihydrate. The anhydrous salt dissolves up to 41.7 wt % in water and is insoluble in ethanol. The aqueous solutions can cause inflammation. It is used to mold-retardant additive for bread, tobacco, pharmaceuticals, antifungal agent.[HAW93]
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 20.5% (69 of 337) of reports.
Danger
H318 (78.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 337 reports by companies from 7 notifications to the ECHA C&L Inventory.
Danger
유해성 정보
Regulatory Information
Chemical: Propanoic acid, calcium salt
Regulation (EC) No 257/2010
Propanoic acid, calcium salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic 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)
Reg. (EU) 2022/1443
Status: Active Update: 17-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5706
Calcium propionate: Does not have an individual approval but may be used under an appropriate group standard
FIFRA Requirements
As the federal pesticide law FIFRA direct, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA 88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Calcium propionate is found on List D. Case No: 4078; Case Status: RED Approved 09/91 - OPP has made a decision that some/all uses of the pesticide are eligible for reregistration, as reflected in a Reregistration Eligibility Decision (RED) Document. Active ingredient (AI): Calcium propionate; AI Status: Cancelled - The active ingredient is no longer contained in any registered pesticide product. Thus, we characterize it as cancelled.
Hazard Classes and Categories
Eye Dam. 1 (78.6%)
Eye damage - category 1
안전 및 보호
Disposal Methods
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.
독성 정보
Non-Human Toxicity Excerpts
/IN RATS/ SODIUM OR CALCIUM PROPIONATE HAD NO EFFECT ON GROWTH WHEN FED AT LEVELS OF 1 TO 3 G DAILY, FOR 4 TO 5 WK, BEGINNING WHEN ANIMALS WERE ABOUT 4 WK OF AGE.
... A LEVEL OF 5% /SODIUM OR CALCIUM/ PROPIONATE WAS PLACED IN BREAD BEFORE BAKING AND ... FED AS THREE-FOURTHS OF DIET OF RATS FOR ONE YEAR. THERE WAS NO DISCERNIBLE TOXICITY IN SPITE OF PRESENCE OF THREE OTHER ... ADDITIVES AT HIGH CONCN IN DIET.
Non-Human Toxicity Values
LD50 Rat oral 3920 mg/kg
LD50 Mouse oral 2350 mg/kg
규제 정보
FIFRA Requirements
As the federal pesticide law FIFRA direct, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA 88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Calcium propionate is found on List D. Case No: 4078; Case Status: RED Approved 09/91 - OPP has made a decision that some/all uses of the pesticide are eligible for reregistration, as reflected in a Reregistration Eligibility Decision (RED) Document. Active ingredient (AI): Calcium propionate; AI Status: Cancelled - The active ingredient is no longer contained in any registered pesticide product. Thus, we characterize it as cancelled.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UE8450000
- HS 번호
- 29155000
- risk_code
- 36/37/38
- safety_code
- 24/25
- 기존화학 물질
- 2001-3-1752
- Hazard Classifications
- Eye Dam. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 4075-81-4(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
Used as a preservative in foods, tobacco, feed grain, cosmetics, and pharmaceuticals; Has been used in the production of butyl rubber and as an antifungal drug; [HSDB]
Farming (Feed Additives) [Category: Industry]
Active ingredient (AI): Calcium propionate; AI Status: Cancelled - The active ingredient is no longer contained in any registered pesticide product.
Inhibitor of molds & other microorganisms in foods, tobacco, pharmaceuticals; in butyl rubber to improve processability and scorching resistance.
THERAP CAT: Antifungal agent
Feed grain preservative
U.S. Exports
(1972) NEGLIGIBLE
(1975) NEGLIGIBLE
U.S. Imports
(1972) NEGLIGIBLE
(1975) NEGLIGIBLE
(1984) 7.56X10+7 g /propionates/
U.S. Production
2023: 250,000 - <400,000 lb
(1972) 9.71X10+9 GRAMS
(1975) PROBABLY GREATER THAN 9.08X10+5 GRAMS
(1984) 8.51X10+9 g
(1993) 16,382 kg
Consumption Patterns
ABOUT 80% AS AN ANTIFUNGAL FOOD ADDITIVE IN BAKED GOODS, MOSTLY IN BREAD; ABOUT 20% AS AN ANTIFUNGAL AGENT IN OTHER APPLICATIONS, PRINCPLY AS AN ADDITIVE IN PROCESSED CHEESE (1973)
Mold inhibitor-Baked goods, 80%; Feed grain preservative, 10%; and Misc, 10% (1983) /Sodium & calcium propionate/
Use Classification
Food additives
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Cosmetics -> Preservative
General Manufacturing Information
Food, beverage, and tobacco product manufacturing
Propanoic acid, calcium salt (2:1): ACTIVE
PROPIONATE COMPOUND IS A MIXTURE CONTAINING 10% EACH OF CALCIUM AND SODIUM PROPIONATES IN A JELLY FOR LOCAL APPLICATION. ... IS USED IN TREATMENT OF VULVOVAGINAL MONILIASIS.
BECAUSE PROPIONATE INHIBITS MOLD AND SPARES YEAST, IT HAS SUPERSEDED THE ACID PHOSPHATE AS AN ANTI-ROPE AGENT. /PROPIONATE/
... FOUND THAT BREAD WHICH CONTAINED 0.2% OF PROPIONATE (BASIS TOTAL DOUGH WEIGHT) SHOWED NO VISIBLE MOLD FOR OVER 8 DAYS IN BOTH WRAPPED AND UNWRAPPED CONDITION AT ROOM TEMP. /PROPIONATE/
... REPORTED THAT, FOR BREAD, 0.2% ... BY FLOUR WT EXTENDED MOLD-FREE LIFE TO SIX DAYS, AS COMPARED WITH FOUR DAYS FOR UNTREATED LOAVES. NO ODOR PROBLEMS WERE FOUND AT THIS LEVEL.
응용 분야
개요Calcium propanoate or calcium propionate has the formula Ca(C2H5COO)2. It is the calcium salt of propanoic acid. It is a preservative commonly used in baked goods around the world, where it extends their shelf life by inhibiting the growth of spoilage microorganisms, namely mold and ropy bacteria.
용도Calcium Propionate is the salt of propionic acid which functions as a preservative. It is the most widely used antimycotic in breadmaking. it is effective against mold, has limited activity against bacteria, and no activity against yeast. it is soluble in water with a solubility of 49 g/100 ml of water at 0°c and insoluble in alcohol. it is less soluble than sodium propionate. its optimum effectiveness is up to ph 5.0 and it has reduced action above ph 6.0. It is often utilized at about 0.2%, flour basis; higher concentrations lead to flavor problems and begin to inhibit yeast fermentation. it is used in bakery products, breads, and pizza crust to protect against mold and “rope.” it is also used in cold-pack cheese food and pie fillings. typical usage level is 0.2–0.3% and 0.1–0.4% based on flour weight.
일반 설명Calcium propionate is generally used as a food preservative in bread. It has also been reported to reduce milk fever in dairy cows. Calcium propionate is the most effective below pH 5.5. Below this pH, the active component, propionic acid, is undissociated and becomes active. The dough pH needs to be below 5.5 and well controlled to effectively control mold.
제조 방법
The industrial production of Calcium propionate and sodium propionate is carried out by the neutralization of propionic acid with the corresponding hydroxides and subsequent spraydrying of the concentrated aqueous solutions.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
순도시험(1) 물불용물 : 이 품목 10g에 물 100mL를 가하여 때때로 흔들어 섞으면서 1시간 방치한 다음 불용물을 유리여과기(1G4)로 여취하고 물 30mL로 씻고 180℃에서 4시간 건조할 때, 그 양은 20mg 이하이어야 한다. (2) 유리산 및 유리알칼리 : 이 품목 2g을 새로 끓여서 식힌 물 20mL에 녹이고 페놀프탈레인시액 2방울을 가하여 이를 시험용액으로 하여 「프로피온산나트륨」의 순도시험 (2)에 따라 시험한다. (3) 비소 : 이 품목을 비소시험법에 따라 시험할 때, 그 양은 4.0ppm 이하이어야 한다. (4) 납 : 이 품목 5.0g을 취하여 원자흡광광도법 또는 유도결합플라즈마발광광도법에 따라 시험할 때, 그 양은 5.0ppm 이하이어야 한다. (5) 철 : 이 품목 5.0g을 취하여 원자흡광광도법 또는 유도결합플라즈마발광광도법에 따라 시험할 때, 그 양은 50ppm 이하이어야 한다. (6) 수은 : 이 품목을 수은시험법에 따라 시험할 때, 그 양은 1.0ppm 이하이어야 한다. (7) 불소화물 : 이 품목 1g을 정밀히 달아 「구연산칼슘」의 순도시험 (8)에 따라 시험한다(10ppm 이하).
확인시험(1) 이 품목 0.5g을 물 5mL에 녹이고 묽은황산 5mL를 가하여 가열하면 특이한 냄새가 난다. (2) 이 품목은 확인시험법 중 칼슘염의 반응을 나타낸다.
정량법정 량 법 이 품목을 건조한 다음 약 1g을 정밀히 달아 물에 녹여 100mL로 한다. 그 중 25mL에 물 75mL 및 10% 수산화나트륨용액 15mL를 가하여 약 1분간 방치한 다음, 2-옥시-1-(2''-옥시-4''-설포-1''-나프틸아조)-3-나프토에산시약 0.1g을 가하여 즉시 0.05M 이.디.티.에이.용액으로 적정한다. 종말점은 적색이 완전히 없어지고 청색이 되는 점으로 한다.0.05M 이.디.티.에이.용액 1mL = 9.312mg C6H10O4Ca
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