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Ethofumesate

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Name

Ethofumesate

EINECS 247-525-3
CAS No. 26225-79-6 Density 1.27 g/cm3
PSA 70.21000 LogP 3.13840
Solubility 50.34mg/L(25 oC) Melting Point 100 °C
Formula C13H18O5S Boiling Point 409.1 °C at 760 mmHg
Molecular Weight 286.349 Flash Point 201.2 °C
Transport Information UN 3077 9/PG 3 Appearance Colorless solid
Safety 61 Risk Codes 51/53
Molecular Structure Molecular Structure of 26225-79-6 (Ethofumesate) Hazard Symbols DangerousN
Synonyms

5-Benzofuranol,2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate (9CI);2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate;(±)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate;Burakosat;CR 14658;Ethosat;Kemiron Plus FL;NC8438;Nortron (new);Nortron 20EC;Prograss;Tramat;Tramat Flo;

Article Data 6

Ethofumesate Consensus Reports

The Journal of Clinical Sleep Medicine published a paper which had carried out a systematic review of the medical literature concerning insomnia medications including Eszopiclone. The review found that almost all trials of sleep disorders and drugs are sponsored by the pharmaceutical industry. It was found that the odds ratio for finding results favorable to industry in industry-sponsored trials was 3.6 times higher than non-industry-sponsored studies. The paper found that there is little research into hypnotics that is independent from the drug manufacturers. The author was concerned that there is no discussion of adverse effects of sedative hypnotics discussed in the medical literature such as significant increased levels of infection, cancers and increased mortality in Eszopiclone and other sedative hypnotic drugs and an overemphasis on the positive effects. The author concluded by stating that "major hypnotic trials are needed to more carefully study potential adverse effects of hypnotics such as daytime impairment, infection, cancer, and death and the resultant balance of benefits and risks."[21]

Ethofumesate Specification

The Ethofumesate, with the CAS registry number 26225-79-6, has the systematic name of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate. And the molecular formula of this chemical is C13H18O5S. In addition. it belongs to the following product categories: Benzofuranyl alkylsulfonate Alphabetic; E; EQ - EZ; Herbicides; Pesticides & Metabolites; Benzofuranyl alkylsulfonate Pesticides & Metabolites; Alpha sort; E-GAlphabetic. What's more, it should be stored at 0-6°C.

The physical properties of Ethofumesate are as following: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.38; (6)ACD/BCF (pH 7.4): 19.38; (7)ACD/KOC (pH 5.5): 290.49; (8)ACD/KOC (pH 7.4): 290.49; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.21 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 71.13 cm3; (15)Molar Volume: 224.6 cm3; (16)Polarizability: 28.2×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 201.2 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 409.1 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc2cc1c(OC(OCC)C1(C)C)cc2)C
(2)InChI: InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
(3)InChIKey: IRCMYGHHKLLGHV-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A184, Pg. 1984,
quail LD50 unreported 6gm/kg (6000mg/kg)   Defense des Vegetaux. Vol. 30, Pg. 23, 1976.
rabbit LD50 oral > 1gm/kg (1000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A184, Pg. 1984,
rat LD50 oral 1130mg/kg (1130mg/kg)   National Technical Information Service. Vol. PB85-143766,
rat LD50 skin 1440mg/kg (1440mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A184, Pg. 1984,

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