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Zinc octanoate

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Name

Zinc octanoate

EINECS N/A
CAS No. 86338-28-5 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C16H30O4Zn Boiling Point 239.3 °C at 760 mmHg
Molecular Weight 351.797 Flash Point 107.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86338-28-5 (Zinc caprylate) Hazard Symbols N/A
Synonyms

OCTANOIC ACID, ZINC SALT (2:1);Zinc dioctanoate;Octanoic acid, zinc salt;octanoate; zinc(+2) cation;557-09-5;0ctanoic acid, zinc salt;Zinc(2+) octanoate;Zinc(II) octoate;

 

Zinc octanoate Specification

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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