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CAS No.: | 108-62-3 |
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Name: | Metaldehyde |
Molecular Structure: | |
Formula: | C8H16O4 |
Molecular Weight: | 176.213 |
Synonyms: | 1,3,5,7-Tetroxocane, 2,4,6,8-tetramethyl-;2,4,6,8-Tetramethyl-1,3,5,7-tetraoxocane;2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane; |
EINECS: | 203-600-2 |
Density: | 0.947 g/cm3 |
Melting Point: | 246 °C |
Boiling Point: | 194.283 °C at 760 mmHg |
Flash Point: | 71.073 °C |
Solubility: | 0.02 g/100 mL (20 °C) in water |
Appearance: | white fine crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 10-22 |
Safety: | 13-25-46 |
Transport Information: | UN 1332 |
PSA: | 36.92000 |
LogP: | 1.45040 |
The Metaldehyde, with the CAS registry number 108-62-3, is also known as Metaldehyde. Its EINECS registry number is 203-600-2. This chemical's molecular formula is C8H16O4 and molecular weight is 176.21. What's more, both its IUPAC name and systematic name are the same which is called 2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane. It is formed at temperatures below 0 °C in the presence of dry hydrogen chloride or pyridine-hydrogen bromide. The metaldehyde crystallizes from solution and is separated from the paraldehyde by filtration. Metaldehyde is a chemical that is commonly used as a pesticide against slugs, snails, and other gastropods.
Physical properties about Metaldehyde are: (1)ACD/LogP: 1.356; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 6.32; (7)ACD/KOC (pH 5.5): 130.29; (8)ACD/KOC (pH 7.4): 130.29; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 43.7 cm3; (15)Molar Volume: 186.07 cm3; (16)Polarizability: 17.324×10-24cm3; (17)Surface Tension: 24.969 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 71.073 °C; (20)Enthalpy of Vaporization: 41.287 kJ/mol; (21)Boiling Point: 194.283 °C at 760 mmHg; (22)Vapour Pressure: 0.622 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. In addition, it is flammable and is harmful if swallowed. Therefore, you should avoid contacting with eyes and keep it away from food, drink and animal feeding stuffs. If swallowed, you must seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1) SMILES: O1C(OC(OC(OC1C)C)C)C
(2) InChI: InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3
(3) InChIKey: GKKDCARASOJPNG-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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cat | LD50 | oral | 207mg/kg (207mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
child | LDLo | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 158, 1971. |
dog | LD50 | oral | 600mg/kg (600mg/kg) | Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 331, 1973. | |
guinea pig | LD50 | oral | 175mg/kg (175mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
human | LDLo | oral | 343mg/kg (343mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 34, Pg. 1464, 1992. |
mammal (species unspecified) | LD50 | unreported | 600mg/kg (600mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 111, 1971. | |
mouse | LC50 | inhalation | 348mg/m3/2H (348mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
mouse | LD50 | oral | 200mg/kg (200mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
rabbit | LD50 | oral | 290mg/kg (290mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
rat | LC50 | inhalation | 203mg/m3/4H (203mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
rat | LD50 | oral | 227mg/kg (227mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. | |
rat | LD50 | skin | 2275mg/kg (2275mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982. |