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Fenoxycarb

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Name

Fenoxycarb

EINECS 276-696-7
CAS No. 72490-01-8 Density 1.148 g/cm3
PSA 56.79000 LogP 3.99470
Solubility 6 mg/L ( at 20℃) Melting Point 53-54oC
Formula C17H19NO4 Boiling Point 457.1 °C at 760 mmHg
Molecular Weight 301.342 Flash Point 230.2 °C
Transport Information N/A Appearance white crystalline solid
Safety 60-61 Risk Codes 50/53
Molecular Structure Molecular Structure of 72490-01-8 (Ethyl 2-(4-phenoxyphenoxy)ethylcarbamate) Hazard Symbols DangerousN
Synonyms

Carbamicacid, [2-(4-phenoxyphenoxy)ethyl]-, ethyl ester (9CI);ABG 6215;Eclipse;Eclipse (growth regulator);Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate;Insegar;Logic;Logic (growth regulator);Phenoxycarb;Ro 13-5223;

Article Data 6

Fenoxycarb Specification

This chemical is called Fenoxycarb, and its systematic name is ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate. With the molecular formula of C17H19NO4, its CAS registry number of this chemical is 72490-01-8. Additionally, its product category is Insecticide. It has a low toxicity for bees, birds, and humans, but is toxic to fish. The Fenoxycarb should be sealed in the container, away from the oxides.

Other characteristics of the Fenoxycarb can be summarised as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 477.45; (6)ACD/BCF (pH 7.4): 477.45; (7)ACD/KOC (pH 5.5): 2878.61; (8)ACD/KOC (pH 7.4): 2878.56; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 83.27 cm3; (15)Molar Volume: 262.3 cm3; (16)Polarizability: 33.01×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 230.2 °C; (20)Enthalpy of Vaporization: 71.71 kJ/mol; (21)Boiling Point: 457.1 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-08 mmHg at 25°C.

Production method of this chemical:

Uses of this chemical: The Fenoxycarb could react with 6-bromo-hexanoic acid ethyl ester, and obtain the 6-{ethoxycarbonyl-[2-(4-phenoxy-phenoxy)-ethyl]-amino}-hexanoic acid ethyl ester. This reaction needs the reagent of NaH, and the solvent of dimethylformamide. The yield is 84 %.

When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. its container must be disposed of as hazardous waste. Avoid releasing it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2
2.InChI: InChI=1/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
3.InChIKey: HJUFTIJOISQSKQ-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 709, 1991.
rat LC50 inhalation > 480mg/m3 (480mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 709, 1991.
rat LD50 oral 16800mg/kg (16800mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C137, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Defense des Vegetaux. Vol. 39(236), Pg. 26, 1985.

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