Name: Zinc caprylate
SKU: 86338-28-5

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Basic Information

Molecular Structure:
CAS No.:	86338-28-5
Name:	Zinc caprylate

Formula:	C₁₆H₃₀O₄Zn
Molecular Weight:	351.797
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;
Boiling Point:	239.3 °C at 760 mmHg
Flash Point:	107.4 °C

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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.