oxalic acid dihydrate

• ChemBase ID: 103658
• Molecular Formular: C2H6O6
• Molecular Mass: 126.06544
• Monoisotopic Mass: 126.01643791
• SMILES: O.O.OC(=O)C(=O)O
• Canonical SMILES: OC(=O)C(=O)O.O.O
• InChI: InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2
• InChIKey: GEVPUGOOGXGPIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxalic acid dihydrate
• IUPAC Traditional name: oxalic acid dihydrate
• Synonyms: Oxalic acid dihydrate, ACS; Ethanedioic acid; Ethanedioic Acid Dihydrate; OXALIC ACID, ACS; Oxalic acid dihydrate; 草酸二水合物, ACS; 乙二酸; 草酸 二水合物; 草酸二水合物

Database IDs

• CAS Number: 6153-56-6
• EC Number: 205-634-3
• MDL Number: MFCD00149102
• Beilstein Number: 3679436
• Merck Index: 146911
• PubChem SID: 24854873; 162090414; 24860284; 24897929; 24886865
• PubChem CID: 61373

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless; Very soluble in water. Moderately soluble in ethanol. Sparingly soluble in ether
• Apperance: Crystalline
• Melting Point: 100-102 °C; 101-105°C; 104-106 °C(lit.); 104-106°C
• Density: 1.65
• Vapor Pressure: <0.01 mmHg ( 20 °C); Negligible
• Vapor Density: 4.4 (vs air)
• pH: ~1.0 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: KI1600000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 1759; 3261; UN3261
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; II; III
• Australian Hazchem: 2X
• Risk Statements: 21/22; R:34
• Safety Statements: 24/25; S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302 + H312-H314; H302-H312; H314-H302-H312
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3261 8/PG 3

Product Information

• Purity: ≥99%; ≥99.0% (GC); ≥99.0% (RT); ≥99.5% (manganometric); ≥99.5% (RT); ≥99.9999% (metals basis); 97%; 98%; 99.0-101.0%; 99.5-100.2%; 99.5-102.5%; 99.5-102.5% (ACS specification)
• Grade: ACS; ACS reagent; JIS special grade; puriss.; puriss. p.a.; purum; purum p.a.; REAGENT; ReagentPlus®; SAJ first grade; TraceSELECT®
• Ignition Residue: ≤0.01%; ≤0.01% (as SO4); ≤0.05% (as SO4)
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.001% N compounds; ≤0.001% total nitrogen (N); ≤0.005% insolubles; ≤10 mg/kg total nitrogen; foreign organic matter, in accordance; H2SO4, passes test(darkened); insoluble matter, passes filter test
• Cation Traces: Ag: ≤0.01 mg/kg; Al: ≤0.02 mg/kg; Al: ≤5 mg/kg; As: ≤0.01 mg/kg; As: ≤0.1 mg/kg; Au: ≤0.001 mg/kg; Ba: ≤0.01 mg/kg; Ba: ≤5 mg/kg; Be: ≤0.001 mg/kg; Bi: ≤0.001 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤0.1 mg/kg; Ca: ≤10 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤0.05 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Ce: ≤0.005 mg/kg; Co: ≤0.005 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤0.01 mg/kg; Cr: ≤5 mg/kg; Cs: ≤0.01 mg/kg; Cu: ≤0.005 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Dy: ≤0.005 mg/kg; Er: ≤0.005 mg/kg; Eu: ≤0.005 mg/kg; Fe: ≤0.05 mg/kg; Fe: ≤10 mg/kg; Fe: ≤2 mg/kg; Fe: ≤2 ppm; Fe: ≤50 mg/kg; Ga: ≤0.001 mg/kg; Gd: ≤0.005 mg/kg; Ge: ≤0.005 mg/kg; heavy metals (as Pb): ≤5 ppm; Hf: ≤0.005 mg/kg; Hg: ≤0.005 mg/kg; Ho: ≤0.005 mg/kg; In: ≤0.001 mg/kg; Ir: ≤0.005 mg/kg; K: ≤0.2 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; La: ≤0.005 mg/kg; Li: ≤0.005 mg/kg; Li: ≤5 mg/kg; Lu: ≤0.005 mg/kg; Mg: ≤0.02 mg/kg; Mg: ≤5 mg/kg; Mn: ≤0.005 mg/kg; Mn: ≤5 mg/kg; Mo: ≤0.005 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.1 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Nb: ≤0.005 mg/kg; Nd: ≤0.005 mg/kg; Ni: ≤0.01 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Os: ≤0.01 mg/kg; Pb: ≤0.01 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Pd: ≤0.01 mg/kg; Pr: ≤0.005 mg/kg; Pt: ≤0.05 mg/kg; Rb: ≤0.01 mg/kg; Re: ≤0.005 mg/kg; Rh: ≤0.005 mg/kg; Ru: ≤0.005 mg/kg; Sb: ≤0.005 mg/kg; Sc: ≤0.05 mg/kg; Se: ≤0.01 mg/kg; Sm: ≤0.005 mg/kg; Sn: ≤0.005 mg/kg; Sr: ≤0.01 mg/kg; Sr: ≤5 mg/kg; Ta: ≤0.01 mg/kg; Tb: ≤0.005 mg/kg; Te: ≤0.005 mg/kg; Th: ≤0.005 mg/kg; Ti: ≤0.02 mg/kg; Tl: ≤0.001 mg/kg; Tm: ≤0.005 mg/kg; U: ≤0.001 mg/kg; V: ≤0.01 mg/kg; W: ≤0.005 mg/kg; Y: ≤0.005 mg/kg; Yb: ≤0.005 mg/kg; Zn: ≤0.02 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg; Zr: ≤0.1 mg/kg
• Antion Traces: chloride (Cl-): ≤0.002%; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; chloride (Cl-): ≤5000 μg/kg; phosphate (PO43-): ≤500 μg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤200 mg/kg; sulfate (SO42-): ≤2000 μg/kg; sulfate (SO42-): ≤50 mg/kg
• Product Line: BioUltra
• abs.: absorption1M/303 nm, H2O cut-off
• Linear Formula: HO2CCO2H · 2H2O

DETAILS

MP Biomedicals - 02152552

Dihydrate
ACS Reagent Grade
Purity: 99.5 to 102.5%

Sigma Aldrich - 93722

Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - O0376

包装
1, 3 kg in poly bottle
10 mg in autosmp vl
100, 500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 247537

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle

REFERENCES

• For a brief feature on uses as a very useful Bronsted acid in organic synthesis, see: Synlett, 2838 (2004).