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CAS No.: | 62669-65-2 |
---|---|
Name: | BARIUM CYCLOHEXANEBUTYRATE |
Molecular Structure: | |
Formula: | C10H18O2.1/2Ba |
Molecular Weight: | 238.90 |
Synonyms: | Cyclohexanebutanoicacid, barium salt (9CI);Barium cyclohexanebutyrate;Barium cyclohexanebutyrate (1:2);Barium bis(4-cyclohexylbutanoate);Barium 4-cyclohexylbutyrate;Barium(2+); 4-cyclohexylbutanoate; |
EINECS: | 263-685-7 |
Density: | 0.991g/cm3 |
Melting Point: | 225 °C (dec.)(lit.) |
Boiling Point: | 283.3 °C at 760 mmHg |
Flash Point: | 138.9 °C |
Appearance: | Light beige powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/22 |
Safety: | 28 |
Transport Information: | UN 1564 6.1/PG 3 |
PSA: | 52.60000 |
LogP: | 5.48900 |
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The Cyclohexanebutanoicacid, barium salt (2:1) with CAS registry number of 62669-65-2 is also known as Barium bis(4-cyclohexylbutanoate). The IUPAC name is Barium(2+); 4-cyclohexylbutanoate. It belongs to product categories of Organic-metal Salt. Its EINECS registry number is 263-685-7. In addition, the formula is C10H18O2.1/2Ba and the molecular weight is 238.90. This chemical is a light beige powder and should be sealed in cool and dry place away from oxides.
Physical properties about Cyclohexanebutanoicacid, barium salt (2:1) are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 38.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 290.36; (7)ACD/KOC (pH 7.4): 4.72; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 138.9 °C; (12)Enthalpy of Vaporization: 57.46 kJ/mol; (13)Boiling Point: 283.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000831 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation and if swallowed. After contact with skin, wash immediately with plenty of solution which is specified by the manufacturer.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ba+2]
2. InChI: InChI=1S/2C10H18O2.Ba/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
3. InChIKey: NFAVTTVOXXCARJ-UHFFFAOYSA-L?