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Sodium Acetate Trihydrate

HCID 23665404
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Grundinformationen

CAS
6131-90-4
Standard-SMILES
CC(=O)[O-].O.O.O.[Na+]
InChIKey
AYRVGWHSXIMRAB-UHFFFAOYSA-M
Summenformel
C2H9NaO5
Durchschnittliche Molmasse
136,08 g/mol
Monoisotopische Masse
136,03476767

Namen und Bezeichner

Bevorzugter Name
Sodium Acetate Trihydrate
IUPAC
sodium;acetate;trihydrate
Englischer Name
Sodium acetate trihydrate
Summenformel
C2H9NaO5
Molmasse
136.08

Namen und Synonyme

SODIUM ACETATE TRIHYDRATE6131-90-4Acetic acid, sodium salt, trihydrateTutofusinDTXSID2073986CHEBI:32138RefChem:887213DTXCID9043011612-115-9sodium;acetate;trihydrateAcetic acid sodium salt trihydrateMFCD00071557
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
43,1 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
8
Formalladung
0
Komplexität
34

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
58 °C · 58 °C
Siedepunkt
400 °C · >400°C
Dichte
1 · 1,45 g/cm3
Flammpunkt
250 °C · >250°C
storage temp.
5 °C · Store at +5°C to +30°C.
Löslichkeit
2 O: · H2O: 3 M at 20 °C, clear, colorless
Aggregatzustand
Solid
Farbe
White
PH
7.5 · 7.5-9.0 (25℃, 50mg/mL in H2O)
pka
4.76 · 4.76 (acetic acid)(at 25℃)
Geruch (Odor)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 3 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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]

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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 · 2 Einträge

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
Anwendungen · 1 Eintrag

VerwendenSodium 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.

Darstellung · 1 Eintrag

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Slight acetic acid
Wasserlöslichkeit
762 g/L · 762 g/L (20 ºC)
Merck
14 · 14,8571
BRN
3732037 · 3732037
Stabilität
Stable. Incompatible with strong oxidizing agents, halogens.
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)
CAS Datenbank
6131 · 6131-90-4(CAS DataBase Reference)
NIST chemische Informationen
Sodium acetate trihydrate(6131-90-4)
EPA chemische Informationen
Acetic acid, sodium salt, trihydrate (6131-90-4)
EPA Safer Chemical
Chemical: Sodium acetate trihydrate; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and CategoriesNot Classified

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

21 [mg/m3]

230 [mg/m3]

1400 [mg/m3]

Regulatorische Informationen

Regulatory Information · 3 Einträge

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

Sicherheitsdaten

wgk
1
tsca
Yes
hs_code
29152200
RTECS-Nr.
AJ4580000
risk_code
36/37/38
Toxizität
LD50 orally in Rabbit: 3530 mg/kg LD50 dermal Rabbit > 10000 mg/kg
hazard_code
Xi
safety_code
24/25-36-26
Speicherklasse
11 - Combustible Solids
Selbstentzündungstemperatur
607 °C

synthetischeSodium 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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Acetic acid solutionEssigsureNatriumhydroxidHolzkohle, aktiviertNatriumcarbonat

Nachgelagerte Produkte

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