Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt

Base Information

• Chemical Name: Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt
• CAS No.: 52509-84-9
• Molecular Formula: C11H14 O2 . 1/2 Ca
• Molecular Weight: 394.51744
• Hs Code.: 2916399090
• European Community (EC) Number: 257-981-5
• DSSTox Substance ID: DTXSID7068760
• Nikkaji Number: J295.682I
• Mol file: 52509-84-9.mol

Synonyms:52509-84-9;Calcium 4-(1,1-dimethylethyl)benzoate;Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt;calcium;4-tert-butylbenzoate;Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt (2:1);Calcium p-t-butylbenzoate;p-tert-Butylbenzoic acid calcium salt;EINECS 257-981-5;p-t-Butylbenzoic acid, calcium salt;SCHEMBL4888410;DTXSID7068760;W-111049

Chemical Property of Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Melting Point: 164.5-165.5oC
• Boiling Point: 283.3°Cat760mmHg
• Flash Point: 134.9°C
• PSA: 80.26000
• Density: 1.056g/cm³
• LogP: 2.69520
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 394.1457002
• Heavy Atom Count: 27
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Ca+2]

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