Barium 4-(1,1-dimethylethyl)benzoateCAS #: 10196-68-6

Synonyms 

Barium 4-tert-butylbenzoate,Barium bis(4-tert-butylbenzoate), barium(2+) 4-tert-butylbenzoate, Barium p-tert-butylbenzoate,  Barium 4-(1,1-dimethylethyl)benzoate, Benzoic acid, 4-(1,1-dimethylethyl)-, barium salt, 4-tert-Butylbenzoic acid barium salt, UNII-4J5PON3RVH, C11H14O2.1/2Ba

4-(1,1-dimethylethyl)-benzoic acid barium salt

Compound Formula: C22H26BaO4 

Molecular Weight: 491.77

Appearance: White powder

Melting Point: 164.5-165.5 °C 

Boiling Point: 283.3 °C (760 mmHg) 

Density: 1.056 g/cm3 

Solubility in H2O: N/A 

Exact Mass: 492.088357 g/mol 

Monoisotopic Mass: 492.088357 g/mol

Health & Safety Information

 Signal Word: Warning 

Hazard Statements: H302-H312-H332-H361-H373-H411 

Hazard Codes: Xn, 

N Precautionary Statements: P201-P202-P260-P261-P264-P270-P271-P273-P280-P281-P301+P312-P302+P352-P304+P312-P304+P340-P308+P313-P312-P314-P322-P330-P363-P391-P405-P501 

Flash Point: 134.9 °C 

Risk Codes: N/A 

Safety Statements: N/A 

Transport Information: N/A 

GHS Pictogram: Image,Image,Image

Chemical Identifiers

 Linear Formula: (C11H14O2)2Ba 

Pubchem CID: 82446 

MDL Number: N/A 

EC No.: 233-490-1 

IUPAC Name: barium(2+); 4-tert-butylbenzoate 

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Ba+2] 

InchI Identifier: InChI=1S/2C11H14O2.Ba/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2 

InchI Key: TVGPWOZHNCQATG-UHFFFAOYSA-L

 Packing of Standard Packing: 

Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Solutions are packaged in polypropylene, plastic or glass jars up to palletized 449 gallon liquid totes Special package is available on request.