기본 정보
- 표준 SMILES
O.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
YASYEJJMZJALEJ-UHFFFAOYSA-N- 분자식
- C6H8O7.H2O
- 평균 분자량
- 210.14 g/mol
- 단동위원소 질량
- 210.03756728
개요
Citric acid monohydrate is an organic molecular entity.
이름 및 식별자
- 우선 이름
- 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
- 현지명
- 시트르산(구연산)
- 영어명
- Citric acid monohydrate
- 분자식
- C6H10O8
- 분자량
- 210.1388
이름 및 동의어
Citric acid monohydrate5949-29-1Citric acid hydrateCITRIC ACID, MONOHYDRATE1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monohydratecitric acid;hydrate2968PHW8QPDTXSID70746681,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1)Acidum citricum monohydrateCitiric acidSoothe Chewable
이름 더 보기
수화구연산시트르산모노수화물시트르산(구연산)시틀산,모노수화물하이드로스시틀산(1수화물)시틀산(1수화물)2-하이드록시-1,2,3-프로판트리카르복실구연산(무수)구연산(함수)시트르산모노수화물(CITRICACIDMONOHYDRATE)citricPROPANONEMETHYL KETONEDIMETHYL KETONECtric AcidMonohydrate citric acidFEMA 3326Citronensαure-hydratCitric acid monohydrat
Surface WipesStop HairAlphacide ActivatorPURILABGREEN FRESHNATURE CLEANRefChem:6528AQUACETIC-30
데이터베이스 식별자
- CAS
5949-29-1- PubChem CID
- 22230
- DTXSID
DTXSID7074668- ChEMBL
CHEMBL2107737- ChEBI
CHEBI:31404- UNII
- 2968PHW8QP
- EC Number
- 611-842-9、691-328-9、904-113-4
물성
구조 계산 물성
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 227
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
LogP-1.72
Density1.5 g/cm³
SolubilitySolubility in water, g/100ml at 20 °C: 59.2
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Decomposition175 °C
Melting Point135 °C
Physical Description
Dry Powder
White solid; Slightly deliquescent; [ICSC] White crystals; [Sigma-Aldrich MSDS]
SLIGHTLY DELIQUESCENT WHITE CRYSTALS.
Autoignition Temperature1010 °C
물리화학적 성질
- 녹는점
- 135 °C · 135 °C
- 끓는 점
- 56 °C760 · 56 °C760 mm Hg(lit.)
- 밀도
- 0.791 g/mL · 0.791 g/mL at 25 °C(lit.)
- 증기 밀도
- 2 · 2 (vs air)
- 증기압
- 184 mm · 184 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.359(lit.)
- 인화점
- 1 °F · 1 °F
- 저장 조건
- no restrictions.
- 용해도
- 구연산 일수화물은 물에 매우 잘 녹고, 에탄올에는 잘 녹고, 에테르에는 거의 녹지 않습니다.
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.138 · 3.138, 4.76, 6.401
- Specific Gravity
- 0.81 · 0.810 (20/4℃)
- 색상
- 하얀색
- 수소이온지수(pH)
- 1.85 · 1.85 (50g/l, H2O, 25℃)
- 냄새
- 전형적인, 거의 무취
- 수용성
- 1630 g/L · 1630g/L(20oC) ;H2O: 10°C에서 용해성 54%(w/w)(물 내 구연산)
- Merck
- 14 · 14,2326
- BRN
- 4018641 · 4018641
- 안정성
- 안정적인. 산화제, 염기, 환원제, 질산염과 호환되지 않습니다.
- 화장품 원료 기능
- 킬레이팅버퍼링향기
- InChI
- 1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
- InChIKey
- YASYEJJMZJALEJ-UHFFFAOYSA-N
- SMILES
- OC(CC(O)(C(O)=O)CC(O)=O)=O.O
- NIST
- Citric acid monohydrate(5949-29-1)
- EPA
- 1 · 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1) (5949-29-1)
화학적 성질
Citric acid monohydrate occurs as colorless or translucent crystals or as a white crystalline, efflorescent powder. It is odorless and has a strong acidic taste. The crystal structure is orthorhombic. monohydrate crystals lose water of crystallization in dry air or when heated to about 40 to 50℃. Citric acid monohydrate softens at 75℃ and melts at approximately 100℃. It serves as a natural preservative and is commonly utilized to contribute an acidic or sour taste to foods and soft drinks.Citric acid monohydrate acts as a preservative and antioxidant. It is also used as an acidulant, flavoring agent and antistaling agent in fruit drinks, candy, cookies, biscuits, canned fruits, jams, and jellies. It differs from other forms of citric acid by having a moisture percentage ranging from 7.5-9.0.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.6% (18 of 1100) of reports.
Warning
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1100 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1)
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1) 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)
Citric acid, monohydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monohydrate: Environment tier I assessment
Fire HazardsCombustible. Finely dispersed particles form explosive mixtures in air.
Hazards Summary
A mild eye irritant; Causes cough in acute inhalation studies of guinea pigs; Causes ataxia and respiratory depression in oral lethal-dose studies of mice; [RTECS] Aerosol causes skin, eye, and respiratory tract irritation; [ICSC] An irritant; May cause allergic reactions in sensitive individuals; [Sigma-Aldrich MSDS] See Citric acid.
EPA Safer ChemicalChemical: Citric acid, monohydrate
Chemical DangersThe solution in water is a weak acid. Attacks copper, zinc, aluminium and their alloys.
Physical DangersDust explosion possible if in powder or granular form, mixed with air.
Hazard Classes and Categories
Skin Irrit. 2 (14.2%)
Skin Irrit. 2 (100%)
Eye irritation - category 2A
안전 및 보호
Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
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.
Safe StorageSeparated from strong bases and oxidants.
Spillage Disposal
Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureThe aerosol is irritating to the eyes, skin and respiratory tract.
독성 정보
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol and by ingestion.
Signs and Symptoms
Cough. Sore throat.
Redness.
Redness. Pain.
Burning sensation.
안전 데이터
- wgk
- 1
- tsca
- Yes
- rtecs
- AL3150000
- ridadr
- UN 1090 3/PG 2
- 독성
- LD50 orally in Rabbit: 3000 mg/kg
- HS 번호
- 29181400
- risk_code
- 11-36-66-67-41-36/37/38-37/38
- hazard_code
- F,Xi
- safety_code
- 9-16-26-37/39-36/37/39-36
- Hazard Classifications
- Eye Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
CLEANING SOLUTION FOR HEMODIALYSIS MACHINES
Acidifying Activity [MoA]; Anti-coagulant [EPC]; Calculi Dissolution Agent [EPC]; Calcium Chelating Activity [MoA]; Decreased Coagulation Factor Activity [PE]
DESINFECTANT SOLUTION FOR HEMODIALYSIS MACHINE
Acidifying Activity [MoA]; Anti-coagulant [EPC]; Calcium Chelating Activity [MoA]; Decreased Coagulation Factor Activity [PE]; Calculi Dissolution Agent [EPC]
MeSH Pharmacological Classification
Agents that prevent BLOOD CLOTTING.
Substances that bind to and sequester CALCIUM ions.
용도 및 제조
Uses
Used as an anticoagulant in blood banks, acidulant (beverages, confectionery, cheese, effervescent salts, pharmaceutical syrups, elixirs, effervescent powders, and tablets), antioxidant, sequestering agent to remove trace metals, and mordant to brighten colors; Also used to make alkyd resins and in electroplating, special inks, and analytical chemistry; [Merck Index]
Electroplating [Category: Plate]
U.S. Production2023: 4,729 lb
Industry UsesDispersing agent
Household ProductsInformation on 20 consumer products that contain Citric acid monohydrate in the following categories is provided:
Use Classification
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
General Manufacturing InformationWholesale and Retail Trade
응용 분야
개요- 강한 신맛을 가지고 있으며 냄새는 없다. - 건조한 대기중에서는 풍화한다. - 물, 알코올, 에테르에 가용
용도- 식품첨가물(청량음료수, 잼) - 제약원료 - 시멘트 혼화제 원료 - 구연산 염료 제조시(구연산나트륨, 구연산암모늄, 구연산칼륨) - 청관제(PIPE 세정제) -기타(PH 조정제 및 공업약품 제조시)
용도Citric Acid Monohydrate is a tricarboxylic acid found in citrus fruits. Citric acid is used as an excipient in pharmaceutical preparations due to its antioxidant properties. It maintains the stability of active ingredients and is used as a preservative. It is also used as an acidulant to control pH and acts as an anticoagulant by chelating calcium in the blood. Additionally, Citric Acid Monohydrate is used as an acidulating, food additive, and synergist in antioxidant mixtures.
일반 설명Citric acid monohydrate is an organic acid. Its molar enthalpy of solution in water has been reported to be ΔsolHm (298.15K, m = 0.0203molkg-1) = (29061 ± 123)Jmol-1
제조 방법
Currently, the industrial production process for citric acid monohydrate crystals involves several steps. First, the citric acid fermentation liquid is separated from the solid-liquid to obtain a citric acid clear liquid. Then, the clear liquid undergoes purification via the calcium salt method (hydrogen calcium method), acidolysis, and decolorization. This purified solution is then heated, concentrated, and crystallized to produce anhydrous citric acid. The mother liquor remaining from this process is then filtered by plate and frame and added to a crystallization cylinder to reach a supersaturated state through cooling and precipitating the crystal. Once the temperature reaches around 13 ℃, the mixture undergoes centrifugal separation, and the resulting wet crystal is then dried in a dryer. The separated mother liquor, after being filtered, decolorized, and concentrated, is added back to the crystallization cylinder to repeat the above steps a total of four to five times. Finally, the mother liquor is returned to the extraction workshop for re-purification via chromatographic separation.
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