oxocalcium

• ChemBase ID: 126350
• Molecular Formular: CaO
• Molecular Mass: 56.0774
• Monoisotopic Mass: 55.9575056
• SMILES: [Ca]=O
• Canonical SMILES: O=[Ca]
• InChI: InChI=1S/Ca.O
• InChIKey: ODINCKMPIJJUCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxocalcium
• IUPAC Traditional name: limestone
• Synonyms: Quicklime; Burnt lime; Unslaked lime; Calcium oxide; Calcium oxide; Lime; Lime; Calcium oxide; 氧化钙; 生石灰; 生石灰; 石灰; 氧化钙

Database IDs

• CAS Number: 1305-78-8
• EC Number: 215-138-9
• MDL Number: MFCD00010911
• PubChem SID: 24853284; 24847417; 24868647; 24854936; 24896455; 24852496; 24882609; 162220686
• PubChem CID: 14778
• ATC CODE: QP53AX18
• Chemspider ID: 14095
• Unique Ingredient Identifier: C7X2M0VVNH
• Wikipedia Title: Calcium_oxide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.8514003
• LogD (pH = 7.4): -0.8514
• Log P: -0.8514
• Molar Refractivity: 1.4429 cm^3
• Polarizability: 3.4510322 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.19 g/L (25 °C), 0.57 g/L (100 °C), exothermic reaction in water; insoluble (also in diethyl ether, n-octanol) in methanol; soluble (also in glycerol, sugar solution) in acids
• Apperance: nanopowder; pieces (irregular); powder; powder (fine); powder and chunks; White to pale yellow/brown powder
• Melting Point: 2572°C
• Boiling Point: 2850 °C(lit.); 2850°C
• Flash Point: Non-flammable
• Density: 3.3 g/mL at 25 °C(lit.); 3.35 g/cm^3
• pKa: 12.8
• Odor: odorless
• Std enthalpy of formation: -635 kJ·mol^-1
• Std molar entropy: 40 J·mol^-1·K^-1

Safety Information

• RTECS: EW3100000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1910
• German water hazard class: 1
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• EU Index: Not listed
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  2
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (KT); ≥98.0%; ≥99.99% trace metals basis; 96-100.5% (ex ignited substance); 98%; 99.9% trace metals basis; 99.995% trace metals basis
• Grade: anhydrous; CP; puriss.; purum; reagent grade; ReagentPlus®; SAJ first grade; SAJ special grade
• Particle Size: <160 nm (BET)
• Suitability: meets USP testing specifications
• Impurities: ≤0.5% insoluble in HCl; ≤2.5% Mg and alkali salts (SO4)
• Cation Traces: As: ≤3 mg/kg; Pb: ≤2 mg/kg
• Antion Traces: fluoride (F-): ≤150 mg/kg
• Biological Source: from marble
• Loss on Drying: ≤3.5% loss on ignition; 10% loss on ignition, 1000°C (absorbed H2O and CO2); 10.0% loss on ignition, 1000°C (absorbed H2O and CO2)
• Quality: meets analytical specification of FCC
• Linear Formula: CaO

DETAILS

Sigma Aldrich - 451711

Packaging
5, 25 g in ampule

Sigma Aldrich - 634182

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 229539

General description
Units are 10% in excess of stated weight to compensate for the loss of H2O and CO2
Packaging
5, 50 g in poly bottle

Sigma Aldrich - 208159

General description
Units are 10% in excess of stated weight to compensate for the loss of H2O and CO2
Packaging
25, 100, 500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 248568

General description
Units are 10% in excess of stated weight to compensate for the loss of H2O and CO2
Packaging
2.5 kg in poly drum
500 g in poly bottle