calciumdiol

• ChemBase ID: 149434
• Molecular Formular: CaH2O2
• Molecular Mass: 74.09268
• Monoisotopic Mass: 73.96807028
• SMILES: O[Ca]O
• Canonical SMILES: O[Ca]O
• InChI: InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
• InChIKey: AXCZMVOFGPJBDE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calciumdiol
• IUPAC Traditional name: calciumdiol
• Synonyms: Calcium hydroxide; 氢氧化钙

Database IDs

• CAS Number: 1305-62-0
• EC Number: 215-137-3
• MDL Number: MFCD00010901
• PubChem SID: 162243599; 24858862; 24854362; 24868536
• PubChem CID: 14777

CALCULATED PROPERTIES

• Acid pKa: 15.690616
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5724
• LogD (pH = 7.4): -1.5724
• Log P: -1.5724
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 4.906098 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Density: 2.24 g/mL at 25 °C(lit.)

Safety Information

• RTECS: EW2800000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95%; ≥95.0%; ≥96%; ≥96.0%; ≥96.0% (T); 95-100.5% (complexometric); 99.995% trace metals basis
• Grade: ACS reagent; CP; puriss.; puriss. p.a.; purum p.a.; Reag. Ph. Eur.; SAJ first grade; SAJ special grade
• Impurities: <3% calcium carbonate; ≤0.03% insol. in HCl; ≤0.03% insoluble in hydrochloric acid; ≤0.1% S compounds; ≤0.2% insoluble in hydrochloric acid; ≤2.5% subst. not precip. by ammonium oxalate (as SO4); ≤3% CaCO3; ≤3.0% calcium carbonate; ≤4% calcium carbonate (CaCO3)
• Cation Traces: As: ≤3 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.05%; Fe: ≤1000 mg/kg; Fe: ≤500 mg/kg; heavy metals (as Pb): ≤0.003%; K: ≤0.05%; K: ≤200 mg/kg; Mg: ≤0.5%; Na: ≤0.05%; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤2 mg/kg; Pb: ≤50 mg/kg; Sr: ≤0.05%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.03%; chloride (Cl-): ≤200 mg/kg; chloride (Cl-): ≤50 mg/kg; fluoride (F-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Quality: meets analytical specification of Ph. Eur., USP, FCC
• Linear Formula: Ca(OH)2

DETAILS

Sigma Aldrich - 450146

Packaging
5, 25 g in poly bottle

Sigma Aldrich - 239232

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