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| CAS No.: | 557-09-5 |
|---|---|
| Name: | ZINC CAPRYLATE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C16H30O4Zn |
| Molecular Weight: | 351.802 |
| 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; |
| EINECS: | 209-156-6 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 136° |
| Boiling Point: | 239.3 °C at 760 mmHg |
| Flash Point: | 107.4 °C |
| Solubility: | slightly soluble boiling H2O; soluble boiling alcohol [HAW93] |
| Appearance: | lustrous scale-like crystals |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 2.42900 |
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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. |