基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]- InChIKey
CJZGTCYPCWQAJB-UHFFFAOYSA-L- 分子式
- C36H70O4.Ca
- 平均分子量
- 607 g/mol
- 単同位体質量
- 606.4900017
概要
Calcium stearate is an organic calcium salt of stearic acid. It is a component of some lubricants and surfactants. It contains an octadecanoate.
名称と識別子
- 優先名称
- Calcium Stearate
- IUPAC
- calcium bis(octadecanoate)
- 英語名
- CALCIUM STEARATE
- 分子式
- C36H70CaO4
- 分子量
- 607.02
名称と別名
CALCIUM STEARATE1592-23-0Calcium octadecanoateOctadecanoic acid, calcium saltCalcium distearateCalstarFlexichemAquacalFlexichem CSStavinor 30Stearic acid, calcium saltCalcium bis(stearate)
名称をさらに表示
Einecs 266-106-6monoethanolamine cocoateSTEARIC ACID CALCIUM SALTHYDROGENATED TALLOW ACID CALCIUM SALTSFatty acids,tallow,hydrogenated,calcium saltHydrogenated tallow fatty acids, calcium saltHydrogenated tallow fatty acids calcium saltsTallow fatty acids, hydrogenated, calcium salttallow fatty acids, hydrogenated, calcium salts
Nopcote C 104Witco G 339SG 339SG 339 S776XM7047LDTXSID7027419CHEBI:190296RefChem:917891
データベース識別子
- CAS
1592-23-0、66071-81-6、8000-75-7- PubChem CID
- 15324
- DTXSID
DTXSID7027419- ChEMBL
CHEMBL2106092- ChEBI
CHEBI:190296- UNII
- 776XM7047L
- EC Number
- 216-472-8、616-781-1
- Nikkaji
- J7.521C
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
- 30
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 196
実験および物理化学的性質
Chemical ClassesOther Classes -> Stearates
Cosmetics
Cosmetic ingredients (Calcium Stearate) -> CIR (Cosmetic Ingredient Review)
Cosmetic colorant; Anticaking
Food AdditivesANTICAKING AGENT OR FREE-FLOW AGENT, EMULSIFIER OR EMULSIFIER SALT, FLAVORING AGENT OR ADJUVANT, FORMULATION AID, LUBRICANT OR RELEASE AGENT, STABILIZER OR THICKENER -> FDA Substance added to food
Density
1.12
1.12 g/cm³
Color/Form
CRYSTALLINE POWDER
Granular, fatty powder
FINE, WHITE TO YELLOWISH WHITE, BULKY POWDER
Solubility
0.004 G/100 CC H2O AT 15 °C; INSOL IN ALCOHOL & ETHER
Slightly sol in hot vegetable and mineral oils; quite sol in hot pyridine
Solubility in water, g/100ml at 15 °C: 0.004
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
DecompositionWhen heated to decomposition it emits acrid smoke and irritating fumes.
Melting Point
Melting point equals 217 ° F
179 °C
179 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
CBI; Large Crystals; Other Solid; Dry Powder; Wet Solid; Large Crystals; Wet Solid; Other Solid; Dry Powder; Liquid; Dry Powder; Large Crystals
White powder; [Sax]
WHITE POWDER.
Other Experimental PropertiesDecomp by many acids and alkalies
物理化学的性質
- EPAの化学物質情報
- Hydrogenated tallow fatty acids calcium salts (66071-81-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 85.5% (3254 of 3808) of all reports.
Warning
H319 (14.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3808 reports by companies from 11 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: Octadecanoic acid, calcium salt
Octadecanoic acid, calcium salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic 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: 06-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18930
Octadecanoic acid, calcium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octadecanoic acid, calcium salt: Human health tier I assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Hazards SummaryIn the GRAS (generally recognized as safe) database of the US Food and Drug Administration (FDA); [ChemIDplus] Has similar properties to other stearates; Low toxicity; Explosive dust-air mixtures can form; [CHEMINFO] See STEARATES.
FDA Requirements
Calcium stearate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Calcium stearate is an indirect food additive for use as a component of resinous and polymeric coatings.
Feed-grade calciium stearate is a food additive permitted in feed and drinking water of animals.
EPA Safer ChemicalChemical: Calcium stearate
FIFRA Requirements
Residues of calcium stearate are exempted from the requirement of a tolerance when used as a stabilizer, component of plastic animal tags in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.
Residues of calcium stearate are exempted from the requirement of a tolerance when used as a solid diluent, carrier, in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.
Chemical DangersDecomposes on burning. This produces irritating fumes.
Physical DangersDust explosion possible if in powder or granular form, mixed with air.
Hazard Classes and CategoriesEye Irrit. 2 (14.1%)
安全と保護具
Fire FightingUse water spray, powder, alcohol-resistant foam, carbon dioxide.
First Aid Measures
Fresh air, rest.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth.
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.
Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Vacuum spilled material with specialist equipment.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. Prevent build-up of electrostatic charges (e.g., by grounding).
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
Allowable Tolerances
Residues of calcium stearate are exempted from the requirement of a tolerance when used as a stabilizer, component of plastic animal tags in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.
Residues of calcium stearate are exempted from the requirement of a tolerance when used as a solid diluent, carrier, in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Threshold Limit Values (TLV)
10.0 [mg/m3]
8 hr Time Weighted Avg (TWA): 10 mg/cu m. /Stearates; does not include stearates of toxic metals/
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded. /Stearates; does not include stearates of toxic metals/
A4: Not classifiable as a human carcinogen. /Stearates; does not include stearates of toxic metals/
Effects of Short Term ExposureMay cause mechanical irritation.
毒性情報
Adverse EffectsACGIH Carcinogen - Not Classifiable.
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Calcium Stearate
Safe for use in cosmetics, with qualifications
Signs and Symptoms
Cough.
Redness.
Evidence for CarcinogenicityA4: Not classifiable as a human carcinogen. /Stearates; does not include stearates of toxic metals/
Toxicity DataLC (mammals) > 1241 mg/m3/4H;
法規制情報
FDA Requirements
Calcium stearate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Calcium stearate is an indirect food additive for use as a component of resinous and polymeric coatings.
Feed-grade calciium stearate is a food additive permitted in feed and drinking water of animals.
FIFRA Requirements
Residues of calcium stearate are exempted from the requirement of a tolerance when used as a stabilizer, component of plastic animal tags in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.
Residues of calcium stearate are exempted from the requirement of a tolerance when used as a solid diluent, carrier, in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.
安全データ
- wgk
- -
- tsca
- TSCA listed
- rtecs
- WI3000000
- safety_code
- 22-24/25
化学と産業
用途と製造
Uses
CIR ingredient: Calcium Stearate
Used as a conditioning agent (food and drugs), a waterproofing agent (fabrics, cement, stucco, explosives), a lubricant (pencils and wax crayons), a stabilizer (PVC resins), and a releasing agent for molded plastic; [Merck Index]
Cement Producing [Category: Industry]
PLASTICS ADDITIVE
Waterproofing fabrics, cement, stucco, explosives; releasing agent for plastic molding powders; lubricant; in pencils and wax crayons
Food grade calcium stearate is used as conditioning agent in certain food and pharmaceutical products
U.S. Exports(1972) NEGLIGIBLE
U.S. Imports(1972) NEGLIGIBLE
U.S. Production
2023: 100,000,000 - <250,000,000 lb
(1972) 1.72X10+10 GRAMS
(1975) 1.5X10+10 GRAMS
(1984) 3.24X10+10 g
Consumption Patterns
50% AS A STABILIZER & INTERNAL LUBRICANT IN PLASTIC COMPOUNDING, PARTICULARLY FOR PVC; 22% IN MFR OF COATED PAPERS AND AS A MOLD RELEASE IN PHARMACEUTICAL PILL & TABLET MFR; 4% IN PAINT & VARNISHES; 16% IN METAL LUBRICATION & OTHER MISC APPLICATIONS (1974)
Consumer UsesLubricating agent
Industry UsesThickening agent
Methods of Manufacturing
Harrison, Biochem J 18, 1222 (1924); Kebrich, Petrot, US patent 2,650,932 (1953 to National Lead).
BY PPT FROM CALCIUM CHLORIDE & SODIUM SALTS OF MIXED FATTY ACIDS (STEARIC & PALMITIC). PPT IS COLLECTED & WASHED WITH WATER TO REMOVE SODIUM CHLORIDE.
Formulations/Preparations
PURITY: CALCIUM STEARATE.../IS/ COMPD OF CALCIUM WITH A MIXT OF SOLID ORG ACIDS OBTAINED FROM FATS & CONSISTS CHIEFLY OF VARIABLE PROPORTIONS OF STEARIC & PALMITIC ACIDS... CONTAINS EQUIVALENT OF 9-10.5% OF CALCIUM OXIDE.
Grades: Technical; FCC.
Household ProductsInformation on 22 consumer products that contain Calcium stearate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives;Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Food Additives -> ANTICAKING_AGENT; EMULSIFIER -> JECFA Functional Classes
Cosmetics -> Cosmetic colorant; Anticaking
General Manufacturing Information
Custom Compounding of Purchased Resins
Octadecanoic acid, calcium salt (2:1): ACTIVE
REGULATORY STATUS (VET): US REGULATIONS REQUIRE THAT IT BE FREE OF "CHICK EDEMA FACTOR".
ITS VIRTUALLY NONTOXIC NATURE & UNCTUOUS PROPERTIES MAKE IT IDEAL.../FOR USE IN FOOD & PHARMACEUTICAL PRODUCTS/.
Food grade calcium stearate /is/ derived from edible tallow...
Present in 0.4-2.0 wt% in PVC rigid-pipe formulation as calcium stearate
サプライヤー5 社
ASIA TALENT CHEMICAL LIMITED[email protected]
Acme-Hardesty[email protected]
MAGNESIA[email protected]
E-MERCK[email protected]
OCEAN TRADING CORPORATION[email protected]
関連反応
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