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| CAS No.: | 2212-67-1 |
|---|---|
| Name: | Molinate |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H17NOS |
| Molecular Weight: | 187.306 |
| Synonyms: | Ethyl1-hexamethyleneiminecarbothiolate;Felan;Hydram;Jalan;Ordram;R4572;S-Ethyl N,N-hexamethylenethiocarbamate;S-Ethylhexahydro-1H-azepine-1-carbothioate;S-Ethyl hexahydroazepine-1-carbothioate;SC 9908;Stauffer R 4572;Yulan; |
| EINECS: | 218-661-0 |
| Density: | 1.058 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 279.025 °C at 760 mmHg |
| Flash Point: | 122.55 °C |
| Solubility: | 0.08 g/100 mL |
| Appearance: | Clear liquid |
| Hazard Symbols: |
 T, N, Xn
|
| Risk Codes: | 20/22-40-43-48/22-63-50/53-62 |
| Safety: | 36/37-46-60-61 |
| PSA: | 45.61000 |
| LogP: | 2.67340 |
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Chemistry
Molecular Formula: C9H17NOS
Molar mass: 187.3024 g/mol
EINECS: 218-661-0
Density: 1.058 g/cm3
Flash Point: 122.6 °C
Index of Refraction: 1.511
Boiling Point: 279 °C at 760 mmHg
Vapour Pressure: 0.00412 mmHg at 25°C
Storage temp: 0-6°C
Water solubility: 0.08 g/100 mL
Solubility: Dissolved in acetone, methanol, isopropanol, benzene, xylene
Appearance: Clear liquid with aromatic odor
Product categories of Molinate (2212-67-1): Alphabetic;Thiocarbamates Method Specific;Herbicides;H-MAlphabetic;Pesticides & Metabolites;European Community
Structure of Molinate (2212-67-1):
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: S-ethyl azepane-1-carbothioate
SMILES: O=C(SCC)N1CCCCCC1
InChI: InChI=1/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey: DEDOPGXGGQYYMW-UHFFFAOYAB
Std. InChI: InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
Std. InChIKey: DEDOPGXGGQYYMW-UHFFFAOYSA-N
Uses
Molinate (2212-67-1) can be used as an herbicide.
Production
The production methods of Molinate (2212-67-1) has two:
1. Phosgene: Have the reaction of gas and Hexamethylene imine to get Hexamethylene chloride, and then in the presence of excess base with B mercaptan for thiol reaction. Phosgene can also react first with Ethyl mercaptan to get S-ethyl-thio-chloroformate, and then has the reaction of Hexamethylene imine .
2. Oxygen carbon sulfide France: Oxygen carbon sulfide , under the action of alkali , with Hexamethylene imine has reaction to get N, N-hexamethylene carbamate sulfide , and then react with Diethyl sulfate, or other ethyl agent.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LC50 | inhalation | > 200mg/m3 (200mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(8), Pg. 35, 1970. | |
| mammal (species unspecified) | LD50 | unreported | 720mg/kg (720mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 29, 1980. | |
| mouse | LD50 | oral | 530mg/kg (530mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: CHANGES IN EXTRA-OCULAR MUSCLES: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Vrachebnoe Delo. Medical Practice. Vol. (1), Pg. 119, 1969. |
| mouse | LD50 | unreported | 545mg/kg (545mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(10), Pg. 104, 1975. |
| rabbit | LD50 | skin | 3536mg/kg (3536mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C208, 1991. | |
| rat | LC50 | inhalation | 2100mg/m3/1H (2100mg/m3) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A282, Pg. 1983, | |
| rat | LD50 | oral | 369mg/kg (369mg/kg) | Pesticide Manual. Vol. 9, Pg. 594, 1991. | |
| rat | LD50 | skin | 1167mg/kg (1167mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(8), Pg. 35, 1970. | |
| rat | LD50 | unreported | 657mg/kg (657mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(10), Pg. 104, |
Safety Profile
Poison by inhalation. Moderately toxic by ingestion, skin contact, and subcutaneous routes. Experimental reproductive effects. Human mutation data reported. An herbicide. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazard Codes: T.gif){kind=small}
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Risk Statements:
20: Harmful by inhalation
22: Harmful if swallowed
40: Limited evidence of a carcinogenic effect
43: May cause sensitization by skin contact
48: Danger of serious damage to health by prolonged exposure
50: Very Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
63: Possible risk of harm to the unborn child
Safety Statements:
36: Wear suitable protective clothing
37: Wear suitable gloves
46: If swallowed, seek medical advice immediately and show this container or label
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
Specification
Molinate (2212-67-1) is standard solution, and also can be called Jalan ; Ordram ; S-Ethyl-1-azepancarbothioat ; S-Ethyl 1-azepanecarbothioate .