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아세트산나트륨, 트리수화물

Sodium Acetate Trihydrate

HCID 23665404
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
6131-90-4
표준 SMILES
CC(=O)[O-].O.O.O.[Na+]
InChIKey
AYRVGWHSXIMRAB-UHFFFAOYSA-M
분자식
C2H9NaO5
평균 분자량
136.08 g/mol
단동위원소 질량
136.03476767

이름 및 식별자

우선 이름
Sodium Acetate Trihydrate
IUPAC
sodium;acetate;trihydrate
현지명
아세트산나트륨, 트리수화물
영어명
Sodium acetate trihydrate
분자식
C2H9NaO5
분자량
136.08

이름 및 동의어

SODIUM ACETATE TRIHYDRATE6131-90-4Acetic acid, sodium salt, trihydrateTutofusinDTXSID2073986CHEBI:32138RefChem:887213DTXCID9043011612-115-9sodium;acetate;trihydrateAcetic acid sodium salt trihydrateMFCD00071557
이름 더 보기
나트륨아세트산트리수화물나트륨아세트산,트리수화물아세트산,나트륨염,트리수화물아세트산나트륨,트리수화물나트륨아세트산,트리수화물(SODIUMACETATE,TRIHYDRATE)NaAcSODA CAUSTICSodium acetate crystalSODIUM ACETATE 3H2OAcetic acid, sodium salt trihydrate, for analysisSODIUM ACETATE, TRIHYDRATE, REAGENT (ACS)SODIUM ACETATE, TRIHYDRATE, REAGENT (ACS)SODIUM ACETATE, TRIHYDRATE, REAGENT (ACS)lnkMabs9264KH2PO45
PlasmafusinThomaegelinNatrium acetate-3-wasserC2H9NaO5Sodium acetate trihydrate; Sodium ethanoate trihydrateSodium acetate [USP:JAN]UNII-4550K0SC9Bsodium acetatetrihydrate

데이터베이스 식별자

CAS
6131-90-4
PubChem CID
23665404
DTXSID
DTXSID2073986
ChEBI
CHEBI:32138
UNII
4550K0SC9B
EC Number
612-115-9

물성

구조 계산 물성보충 중

극성 표면적
43.1 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
34

실험 및 물리화학적 성질

Density1.528 @25 °C
Melting Point324 °C
Physical DescriptionTransparent solid; Efflorescent in warm air; [Merck Index] White crystalline solid; [Aldrich MSDS]

물리화학적 성질

녹는점
58 °C · 58 °C
끓는 점
400 °C · >400°C
밀도
1 · 1,45 g/cm3
인화점
250 °C · >250°C
저장 조건
5 °C · Store at +5°C to +30°C.
용해도
2 O: · H2O: 3 M at 20 °C, 투명, 무색
물리적 상태
고체
색상
하얀색
수소이온지수(pH)
7.5 · 7.5-9.0 (25℃, 50mg/mL in H2O)
산도 계수 (pKa)
4.76 · 4.76 (acetic acid)(at 25℃)
냄새
가벼운 식초 냄새
수용성
762 g/L · 762g/L(20℃)
Merck
14 · 14,8571
BRN
3732037 · 3732037

안전 및 규제

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

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.4% (307 of 312) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 307 of 312 companies (only 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 312 reports by companies from 6 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 307 of 312 reports by companies.;There are 4 notifications provided by 5 of 312 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Acetic acid, sodium salt, trihydrate

Acetic acid, sodium salt, trihydrate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, sodium salt, trihydrate 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)

Acetic acid, sodium salt, trihydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Acetic acid, sodium salt, trihydrate: Human health tier I assessment
Hazards SummaryFound in plant and animal tissues; Generally regarded as safe (GRAS) for use in food; [FDA] May cause irritation; [Aldrich MSDS]
EPA Safer ChemicalChemical: Sodium acetate trihydrate; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.

화학 및 산업

용도 및 제조

Uses · 2건

Used in photography, buffering reagents, bottle warmers, and animal medicines; Technical grades used as mordant in dyeing, acidulant in foods, and additive in dialysis solutions; [Merck Index] Used as a urinary alkalizer, diuretic, and expectorant; [ChemIDplus]

Photographic Processing [Category: Other];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

U.S. Production2022: 78,043 lb;2021: 110 lb
Industry UsesNot Known or Reasonably Ascertainable
Use Classification · 2건

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 InformationNot Known or Reasonably Ascertainable
응용 분야 · 3건

용도약한 산과 강한 염기가 만드는 염이므로 수용액은 약한 알칼리성을 보인다. 완충용액의 조제, 염료의 매염제(媒染劑) 로 사용되며, 융해열이 크기 때문에 난방기구의 보온재로도 사용된다.

용도Sodium acetate trihydrate is used in various applications. It is used as a buffer of a pH range in between to 4.0 to 6.0. It is also used in the purification and precipitation of nucleic acids and in protein crystallization. It is used as a mordant dyeing, as a pickling agent in chrome tanning, as a neutralizer in waste streams containing sulfuric acid, in the textile industry and as a photoresist while using aniline dyes. It plays an important role to retard vulcanization of chloroprene in synthetic rubber production. It is a precursor to prepare ester from alkyl halide. Other applications are in photography, as an additive to food, in purification of glucose, in preservation of meat, in tanning, and as a dehydrating agent. In analytical chemistry it is used to prepare buffer solution.

일반 설명Sodium acetate trihydrate can be obtained from the crystallization of sodium acetate in water. On heating at 75°C, it melts, while on heating above 120°C it loses water of crystallization and gets converted into anhydrous form. The hyperfine proton and 13C splittings have been evaluated by recording ESR spectra of its irradiated single crystals. ESR studies suggested the existence of trapped methyl radicals. Its crystals are monoclinic and its crystal structure has been investigated by photographic methods. Unit cell parameters were evaluated.

관련 반응

578건
반응 기록 만들기
HRID 28293 반응식
HRID 28293반응물로uspto-grants-1980_09
HRID 29793 반응식
HRID 29793반응물로uspto-grants-2008_09
HRID 35709 반응식
HRID 35709반응물로uspto-grants-1988_08
HRID 35750 반응식
HRID 35750반응물로uspto-grants-1988_08
HRID 45300 반응식
HRID 45300반응물로uspto-grants-2013_09
HRID 66026 반응식
HRID 66026반응물로uspto-grants-1978_12
HRID 66033 반응식
HRID 66033반응물로uspto-grants-1978_12
HRID 66034 반응식
HRID 66034반응물로uspto-grants-1978_12
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화합물 노트

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안정성
안정적인. 강한 산화제, 할로겐과 호환되지 않습니다.
InChI
1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1
InChIKey
AYRVGWHSXIMRAB-UHFFFAOYSA-M
SMILES
O.O.O.[Na+].CC([O-])=O
LogP
-0.285 · -0.285 (est)
NIST
Sodium acetate trihydrate(6131-90-4)
EPA
Acetic acid, sodium salt, trihydrate (6131-90-4)
화학적 성질 · 1건

Sodium acetate trihydrate is the trihydrate sodium salt oaf acetic acid. It is a colorless, odorless crystals that can be weathered in the air. Soluble in water and ether, pH of 0.1M aqueous solution is 8.9. moderately soluble in ethanol, 5.3 g/100mL. Anhydrous Sodium acetate occurs as colorless, transparent crystals or a granular crystalline powder with a slight acetic acid odor.

Hazard Classes and CategoriesNot Classified

안전 및 보호

Protective Action Criteria (PAC) · 3건

21 [mg/m3]

230 [mg/m3]

1400 [mg/m3]

규제 정보

Regulatory Information · 3건

Chemical: Acetic acid, sodium salt, trihydrate

Acetic acid, sodium salt, trihydrate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, sodium salt, trihydrate 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)

Acetic acid, sodium salt, trihydrate: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
Yes
rtecs
AJ4580000
독성
LD50 orally in Rabbit: 3530 mg/kg LD50 dermal Rabbit > 10000 mg/kg
HS 번호
29152200
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26
자연 발화 온도
607 °C
스토리지 클래스
11 - Combustible Solids
제조 방법 · 1건

Sodium acetate is prepared by reacting sodium hydroxide or sodium carbonate with acetic acid in aqueous solution. The solution is evaporated to obtain hydrated crystals of sodium acetate. NaOH + CH3COOH → CH3COONa + H2O Na2CO3 + CH3COOH → 2CH3COONa + CO2 + H2O

상·하류 제품 정보

상류 원료

Acetic acid solution아세트산(빙초산)수산화나트륨활성화 챠콜탄산나트륨(경회)

하류 제품

Gardenia blue pigmentC.I. 색소 황색 835-Ethyl-2-thiophenecarboxaldehydeBispyrazolone인산납 디베이직6-Hydroxy-7-methoxycoumarinPigment Red 32Pigment Red 13Pigment Yellow 65o-Anisic acid에텐일 옥타데칸산3-(2-푸릴)이속사졸-5-아민Pigment Red 175RHODINYL ACETATE유연제IS베타-페닐에틸 아세트산나트륨 디아세트산8-메톡시사이마린초산 토코페놀초산 게라닐3-Amino-5-phenylpyrazole2,6-디티오퓨린8-(4-아닐리노-5-설포-1-나프틸아조)-1-나프톨-3,6-디술폰 산 트리나트륨 염glyceryl ethercarboxylic acid salt3,3'-디하이드록시벤지딘6-메톡시사이마린CefotaximePalmitic acid vinyl ester2-Acetyl pyrrole1,2,3,4-Tetrahydro-9-acridinamine2-아미노-4-(4-클로로-페닐)-티오펜-3-카르복실산에틸에스테르5-Methyl-4-isoxazolecarbonyl chloride4-Hydroxy-3-methoxystyreneC. I. Pigment Red 2587-isopropyl-4-methyloxepan-2-one5-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furaldehyde6-Amino-5-nitroso-3-methyluracilCephalothin sodiumCoumarin 30ISOXANTHOPTERIN