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6153-56-6 molecular structure
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oxalic acid dihydrate

ChemBase ID: 103658
Molecular Formular: C2H6O6
Molecular Mass: 126.06544
Monoisotopic Mass: 126.01643791
SMILES and InChIs

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

Cite this record

CBID:103658 http://www.chembase.cn/molecule-103658.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.3639908  H Acceptors
H Donor LogD (pH = 5.5) -5.101814 
LogD (pH = 7.4) -6.8848467  Log P -0.26375157 
Molar Refractivity 14.4386 cm3 Polarizability 5.8697963 Å3
Polar Surface Area 74.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
Very soluble in water. Moderately soluble in ethanol. Sparingly soluble in ether expand Show data source
Apperance
Crystalline expand Show data source
Melting Point
100-102 °C expand Show data source
101-105°C expand Show data source
104-106 °C(lit.) expand Show data source
104-106°C expand Show data source
Density
1.65 expand Show data source
Vapor Pressure
<0.01 mmHg ( 20 °C) expand Show data source
Negligible expand Show data source
Vapor Density
4.4 (vs air) expand Show data source
pH
~1.0 (25 °C, 1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
KI1600000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1759 expand Show data source
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
21/22 expand Show data source
R:34 expand Show data source
Safety Statements
24/25 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
EU Classification
C10 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H302 + H312-H314 expand Show data source
H302-H312 expand Show data source
H314-H302-H312 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3261 8/PG 3 expand Show data source
Purity
≥99% expand Show data source
≥99.0% (GC) expand Show data source
≥99.0% (RT) expand Show data source
≥99.5% (manganometric) expand Show data source
≥99.5% (RT) expand Show data source
≥99.9999% (metals basis) expand Show data source
97% expand Show data source
98% expand Show data source
99.0-101.0% expand Show data source
99.5-100.2% expand Show data source
99.5-102.5% expand Show data source
99.5-102.5% (ACS specification) expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
purum p.a. expand Show data source
REAGENT expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
TraceSELECT® expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
≤0.01% expand Show data source
≤0.01% (as SO4) expand Show data source
≤0.05% (as SO4) expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤0.001% N compounds expand Show data source
≤0.001% total nitrogen (N) expand Show data source
≤0.005% insolubles expand Show data source
≤10 mg/kg total nitrogen expand Show data source
foreign organic matter, in accordance expand Show data source
H2SO4, passes test(darkened) expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Ag: ≤0.01 mg/kg expand Show data source
Al: ≤0.02 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.01 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Au: ≤0.001 mg/kg expand Show data source
Ba: ≤0.01 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Be: ≤0.001 mg/kg expand Show data source
Bi: ≤0.001 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.001% expand Show data source
Ca: ≤0.1 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤0.05 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Ce: ≤0.005 mg/kg expand Show data source
Co: ≤0.005 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤0.01 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cs: ≤0.01 mg/kg expand Show data source
Cu: ≤0.005 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Dy: ≤0.005 mg/kg expand Show data source
Er: ≤0.005 mg/kg expand Show data source
Eu: ≤0.005 mg/kg expand Show data source
Fe: ≤0.05 mg/kg expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤2 mg/kg expand Show data source
Fe: ≤2 ppm expand Show data source
Fe: ≤50 mg/kg expand Show data source
Ga: ≤0.001 mg/kg expand Show data source
Gd: ≤0.005 mg/kg expand Show data source
Ge: ≤0.005 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
Hf: ≤0.005 mg/kg expand Show data source
Hg: ≤0.005 mg/kg expand Show data source
Ho: ≤0.005 mg/kg expand Show data source
In: ≤0.001 mg/kg expand Show data source
Ir: ≤0.005 mg/kg expand Show data source
K: ≤0.2 mg/kg expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
La: ≤0.005 mg/kg expand Show data source
Li: ≤0.005 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Lu: ≤0.005 mg/kg expand Show data source
Mg: ≤0.02 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤0.005 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤0.005 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.1 mg/kg expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Nb: ≤0.005 mg/kg expand Show data source
Nd: ≤0.005 mg/kg expand Show data source
Ni: ≤0.01 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Os: ≤0.01 mg/kg expand Show data source
Pb: ≤0.01 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Pd: ≤0.01 mg/kg expand Show data source
Pr: ≤0.005 mg/kg expand Show data source
Pt: ≤0.05 mg/kg expand Show data source
Rb: ≤0.01 mg/kg expand Show data source
Re: ≤0.005 mg/kg expand Show data source
Rh: ≤0.005 mg/kg expand Show data source
Ru: ≤0.005 mg/kg expand Show data source
Sb: ≤0.005 mg/kg expand Show data source
Sc: ≤0.05 mg/kg expand Show data source
Se: ≤0.01 mg/kg expand Show data source
Sm: ≤0.005 mg/kg expand Show data source
Sn: ≤0.005 mg/kg expand Show data source
Sr: ≤0.01 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Ta: ≤0.01 mg/kg