dimethoxycalcium

• ChemBase ID: 147286
• Molecular Formular: C2H6CaO2
• Molecular Mass: 102.14584
• Monoisotopic Mass: 101.99937041
• SMILES: CO[Ca]OC
• Canonical SMILES: CO[Ca]OC
• InChI: InChI=1S/2CH3O.Ca/c2*1-2;/h2*1H3;/q2*-1;+2
• InChIKey: AMJQWGIYCROUQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxycalcium
• IUPAC Traditional name: dimethoxycalcium
• Synonyms: Calcium methoxide; 甲醇钙

Database IDs

• CAS Number: 2556-53-8
• EC Number: 219-873-6
• MDL Number: MFCD00058816
• PubChem SID: 162241476; 24868191
• PubChem CID: 5142391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1166
• LogD (pH = 7.4): -0.1166
• Log P: -0.1166
• Molar Refractivity: 14.0938 cm^3
• Polarizability: 8.561778 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: >385 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-36/38-41
• Safety Statements: 24-26-36-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H332
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: Ca(OCH3)2

DETAILS

Sigma Aldrich - 445568

Packaging
10 g in glass bottle