基本情報
- CAS
4075-81-4- 標準SMILES
CCC(=O)[O-].CCC(=O)[O-].[Ca+2]- InChIKey
BCZXFFBUYPCTSJ-UHFFFAOYSA-L- 分子式
- C6H10O4Ca
- 平均分子量
- 186.22 g/mol
- 単同位体質量
- 186.02049978
名称と識別子
- 優先名称
- Calcium propionate
- IUPAC
- calcium propanoate
- 現地名
- プロピオン酸 カルシウム
- 英語名
- Calcium Propionate
- 分子式
- C3H8CaO2
- 分子量
- 116.17
名称と別名
名称をさらに表示
データベース識別子
- CAS
4075-81-4- PubChem CID
- 19999
- DTXSID
DTXSID1027556- ChEMBL
CHEMBL3186661- UNII
- 8AI80040KW
- EC Number
- 223-795-8
- Nikkaji
- J3.064C
物性
構造計算による物性
- 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
- 11
- 形式電荷
- 0
- 複雑度
- 34.6
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 300 °C · 300 °C
- 比重(密度)
- 1.41 · 1.41[at 20℃]
- 蒸気圧
- 0 · 0-399Pa at 20-23℃
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 1 g/10mL · 水:可溶1g/10mL 無色透明
- 外見
- 結晶または結晶性粉末
- 色
- 白い
- PH
- 9.2 · 9.2 (200g/l, H2O, 20℃)(IUCLID)
- 臭い (Odor)
- 100 · 100.00?%で。当たり障りのないマイルドなプロピオン酸
- 水溶解度
- 1 g/10mL · 1g/10mL
- Merck
- 14 · 14,1698
- BRN
- 3698682 · 3698682
- 安定性
- 安定。吸湿性。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- 防腐剤
- 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℃
- CAS データベース
- 4075 · 4075-81-4(CAS DataBase Reference)
- EPAの化学物質情報
- Calcium propionate (4075-81-4)
化学的性質
化学的特性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]
安全と法規制
GHS分類
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
危険有害性情報
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
安全と保護具
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.
毒性情報
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
法規制情報
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.
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UE8450000
- hs_code
- 29155000
- risk_code
- 36/37/38
- 化審法
- (9)-1227
- safety_code
- 24/25
- Hazard Classifications
- Eye Dam. 1STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 4075-81-4(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
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.
応用分野
解説プロピオン酸カルシウムとは、2つのと1つのがイオン結合した有機酸塩の1種です。 英語表記の通り、カルシウムプロピオネートと呼ばれることもあります。常温では固体状で、白色粉体の状態で販売されることが多いです。水に溶けやすく、水に溶解させて水溶液にしてから使用される場合があります。 常温の条件で保存された場合の安定性は高いですが、高温および直射日光を避ける方が好ましいとされています。主要な国内法規に該当する物質ではありませんが、眼に対して刺激を有する物質であるため、取り扱う際にゴーグルなどの保護具の着用が推奨されます。
用途食品保存料、酸化防止剤、防かび剤
説明Calcium 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.
使用Calcium 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.
一般的な説明Calcium 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.
使用用途プロピオン酸カルシウムの主な使用用途は、プロピオン酸と同様に、カビや芽胞菌の発育を抑える保存料です。しかし、必ずしもすべての微生物に対して抗菌作用を発揮できません。 酵母に対する効果が弱いプロピオン酸カルシウムは、パン類の保存料として最適です。プロピオン酸カルシウムは、パン類以外にチーズや洋菓子の保存料 (防腐剤) として利用されます。 プロピオン酸カルシウムは、食品への配合量や配合できる食品の種類が定められています。プロピオン酸またはプロピオン酸塩の使用が認められている食品はチーズ、パン、および洋菓子のみです。
調製方法
製造方法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.
純化方法Crystallise this antifungal salt from water (2mL/g) by partial evaporation in a desiccator. [Beilstein 2 H 238, 2 II 218, 2 III 516.]
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義本品は、プロピオン酸(*)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:プロピオン酸
関連反応
化合物ノート
読み込み中…