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Name	Molinate	EINECS	218-661-0
CAS No.	2212-67-1	Density	1.058 g/cm³
PSA	45.61000	LogP	2.67340
Solubility	0.08 g/100 mL	Melting Point	<25 °C
Formula	C₉H₁₇NOS	Boiling Point	279.025 °C at 760 mmHg
Molecular Weight	187.306	Flash Point	122.55 °C
Transport Information	N/A	Appearance	Clear liquid
Safety	36/37-46-60-61	Risk Codes	20/22-40-43-48/22-63-50/53-62
Molecular Structure		Hazard Symbols	T,N,Xn
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;	Article Data	21

Molinate Chemical Properties

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

Molinate Uses

Molinate (2212-67-1) can be used as an herbicide.

Molinate 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.

Molinate 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,

Molinate 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 NO_x and SO_x.

Hazard Codes: T,N,Xn
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

Molinate Specification

Molinate (2212-67-1) is standard solution, and also can be called Jalan ; Ordram ; S-Ethyl-1-azepancarbothioat ; S-Ethyl 1-azepanecarbothioate .

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