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Zinc caprylate

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Name

Zinc caprylate

EINECS 209-156-6
CAS No. 557-09-5 Density 1.19 g/cm3
PSA 37.30000 LogP 2.42900
Solubility slightly soluble boiling H2O; soluble boiling alcohol [HAW93] Melting Point 136°
Formula C16H30O4Zn Boiling Point 239.3 °C at 760 mmHg
Molecular Weight 351.802 Flash Point 107.4 °C
Transport Information N/A Appearance lustrous scale-like crystals
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 557-09-5 (ZINC CAPRYLATE) Hazard Symbols N/A
Synonyms

Octanoicacid, zinc salt (8CI,9CI);Zinc octanoate (7CI);Baerostab L 230;LBZ 732;O/SZink 10 Aqua;Octoate Z;Siccatol ZN 12;Stabilol VZN 1950;Z 08;Zinc (II)octoate;Zinc caprylate;Zinc dioctylate;Zinc octoate;Zinc octylate;ZnOctoate;

Article Data 8

Zinc caprylate Consensus Reports

ZINC and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Zinc caprylate Specification

This chemical is called Zinc caprylate, and it's also named as Octanoic acid, zinc salt (2:1). With the molecular formula of C16H30O4Zn, its product category is Organic-metal salt. The CAS registry number of this chemical is 557-09-5. Additionally, its classification codes are Agricultural Chemical; Fungicide, bactericide, wood preservative. Please keep this chemical from the moisture.

Other characteristics of the Zinc caprylate can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 15.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 145.03; (8)ACD/KOC (pH 7.4): 2.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 107.4 °C; (14)Enthalpy of Vaporization: 50.32 kJ/mol; (15)Boiling Point: 239.3 °C at 760 mmHg; (16)Vapour Pressure: 0.022 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

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 

The toxicity data is 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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