The CAS register number of Zinc octanoate is 86338-28-5. It also can be called as Octanoic acid, zinc salt and the systematic name about this chemical is zinc dioctanoate. The molecular formula about this chemical is C16H30O4Zn and the molecular weight is 351.797.
Physical properties about Zinc octanoate are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.11; (3)ACD/LogD (pH 7.4): 0.31; (4)ACD/BCF (pH 5.5): 15.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 145.03; (7)ACD/KOC (pH 7.4): 2.33; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 37.3 Å2; (12)Flash Point: 107.4 °C; (13)Enthalpy of Vaporization: 50.32 kJ/mol; (14)Boiling Point: 239.3 °C at 760 mmHg; (15)Vapour Pressure: 0.022 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)CCCCCCC.[O-]C(=O)CCCCCCC(2)InChI: InChI=1/2C8H16O2.Zn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
(3)InChIKey: CHJMFFKHPHCQIJ-NUQVWONBAD
(4)Std. InChI: InChI=1S/2C8H16O2.Zn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
(5)Std. InChIKey: CHJMFFKHPHCQIJ-UHFFFAOYSA-L
The toxicity data are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2370mg/kg (2370mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Hygiene, Epidemiology, Microbiology, and Immunology. Vol. 18, Pg. 144, 1974. |
rat | LDLo | intratracheal | 9mg/kg (9mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Hygiene, Epidemiology, Microbiology, and Immunology. Vol. 18, Pg. 144, 1974. |
rat | LDLo | oral | 9gm/kg (9000mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Hygiene, Epidemiology, Microbiology, and Immunology. Vol. 18, Pg. 144, 1974. |
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