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| CAS No.: | 62669-64-1 |
|---|---|
| Name: | MAGNESIUM CYCLOHEXANEBUTYRATE |
| Molecular Structure: | |
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| Formula: | C20H34MgO4 |
| Molecular Weight: | 362.79 |
| Synonyms: | MAGNESIUM CYCLOHEXANEBUTYRATE;Cyclohexanebutanoicacid,magnesiumsalt(2:1);magnesium cyclohexanebutyrate (1:2);MAGNESIUM CYCLOHEXANEBUTYRATE 98%;MAGNESIUM CYCLOHEXANEBUTYRATE FOR (AAS);MAGNESIUMCYCLOHEXANEBUTYRATE,98%;Magnesiumcyclohexanebutyrate(AAS);Cyclohexanebutyric acid magnesium salt |
| EINECS: | 263-684-1 |
| Boiling Point: | 283.3 °C at 760 mmHg |
| Flash Point: | 138.9 °C |
| Solubility: | insoluble in water, Soluble in many organic solvents |
| Appearance: | white crystalline powder |
| Safety: | 24/25 |
| PSA: | 52.60000 |
| LogP: | 5.48900 |
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Specification
The Cyclohexanebutanoicacid, magnesium salt (2:1), also known as Magnesium cyclohexanebutyrate (1:2), is an organic compound with the formula C20H34MgO4. It belongs to the product category of Organic-metal Salt. Its EINECS registry number is 263-684-1. With the CAS registry number 62669-64-1, its IUPAC name is magnesium 4-cyclohexylbutanoate. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. What's more, this chemical is a white crystalline powder. The product should be sealed and stored in cool and dry place.
Physical properties of Cyclohexanebutanoicacid, magnesium salt (2:1): (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 6; (4)Exact Mass: 362.230751; (5)MonoIsotopic Mass: 362.230751; (6)Topological Polar Surface Area: 80.3; (7)Heavy Atom Count: 25; (8)Formal Charge: 0; (9)Complexity: 131; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Mg+2]
(2)InChI: InChI=1S/2C10H18O2.Mg/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: QSMVRMKSCBMQIF-UHFFFAOYSA-L