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CAS No.: | 38582-18-2 |
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Name: | Zinc cyclohexanebutyrate |
Molecular Structure: | |
Formula: | C20H34O4Zn |
Molecular Weight: | 403.87 |
Synonyms: | Cyclohexanebutanoicacid,zincsalt;zinc cyclohexylbutyrate;4-Cyclohexylbutyric acid zinc salt;Zinccyclohexanebutyratedihydrate(AAS);Bis(cyclohexanebutyric acid)zinc salt; |
EINECS: | 254-017-5 |
Melting Point: | 77-80°C |
Boiling Point: | 283.3 °C at 760 mmHg |
Flash Point: | 138.9 °C |
Appearance: | white powder and chunks |
PSA: | 52.60000 |
LogP: | 5.48650 |
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The Zinc cyclohexanebutyrate, with the CAS registry number 38582-18-2, is also known as Cyclohexanebutanoicacid,zincsalt. Its EINECS number is 254-017-5. This chemical's molecular formula is C20H34O4Zn and molecular weight is 403.87. What's more, its systematic name is 1-methyl-3-phenyl-1H-pyrazol-5-amine. It should be sealed and stored in cool and dry places.
Physical properties of Zinc cyclohexanebutyrate are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 38.33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 290.36; (8)ACD/KOC (pH 7.4): 4.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 138.9 °C; (14)Enthalpy of Vaporization: 57.46 kJ/mol; (15)Boiling Point: 283.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000831 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Zn+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
(2)InChI: InChI=1/2C10H18O2.Zn/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: KVSXXOUZYJZCPY-NUQVWONBAK