grade

puriss.

Quality Level

200

Assay

99.5-100.5% (based on anhydrous substance)

form

grit

quality

meets analytical specification of Ph. Eur., BP, USP, E330

impurities

residual solvents, complies
≤0.0005% heavy metals (as Pb)
7.5-8.8% water (Karl Fischer)

ign. residue

≤0.05% (as SO₄)

pKa 

(1) 3.13, (2) 4.76, (3) 6.4

anion traces

chloride (Cl^-): ≤50 mg/kg
oxalate (as oxalic acid): ≤100 mg/kg
sulfate (SO₄^2-): ≤100 mg/kg

cation traces

As: ≤1 mg/kg
Ca: ≤200 mg/kg
Cu: ≤10 mg/kg
Fe: ≤10 mg/kg
Hg: ≤1 mg/kg
Pb: ≤1 mg/kg
Zn: ≤10 mg/kg

suitability

complies for appearance of solution
complies for identity (IR)
complies for reaction against H₂SO₄

SMILES string

OC(CC(O)(C(O)=O)CC(O)=O)=O.O

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

InChI key

YASYEJJMZJALEJ-UHFFFAOYSA-N