Carbofuran

Formula: C₁₂H₁₅NO₃
Molecular weight: 221.2524
IUPAC Standard InChI: InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
IUPAC Standard InChIKey: DUEPRVBVGDRKAG-UHFFFAOYSA-N
CAS Registry Number: 1563-66-2
Chemical structure:
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Other names: Furadane; 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate; Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester; BAY 70143; Curaterr; Furadan; Furadan 3G; Niagara 10242; Crisfuran; NIA 10242; OMS 864; 2,2-Dimethyl-7-Coumaranyl N-methylcarbamate; 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate; 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate; BAY 78537; Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester; D 1221; ENT 27,164; FMC 10242; Yaltox; 2,2-Dimethyl-2,2-dihydrobenzofuranyl-7 N-methylcarbamate; 2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate; 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate; Karbofuranu; Methyl carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester; NA 2757; Niagara nia-10242; Chinufur; Furadan 75 WP; 2,2-Dimethyl-2,3-dihydrobenzoduranyl-7-N-methylcarbamate; 2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate; 7-Benzofurano, 2,3-dihydro-2,2-dimethyl, methylcarbamate; C2292-59a; Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester; Carbodan; Furacarb; Furadan 4F; Me f248; Rampart; Benzofuran-7-ol, 2,3-dihydro, 2,2-dimethyl, N-methylcarbamate; 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate); Furadan G
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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	OV-1	160.	1678.	Erdmann, Rochholz, et al., 1992

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1702.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SLB-5MS	1735.	Mondello, Casilli, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 70. C; T_end: 300. C
Capillary	SLB-5MS	1740.	Mondello, Casilli, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 70. C; T_end: 300. C
Capillary	5 % Phenyl methyl siloxane	1713.	Climent and Miranda, 1996	He, 80. C @ 3. min, 20. K/min, 300. C @ 0. min; Column length: 25. m

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	1743.	Department of Food Safety and Welfare, 2006	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)
Capillary	5 % Phenyl methyl siloxane	1742.	Department of Food Safety and Welfare, 2006	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min)

References

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Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H., Retention-indices on OV-1 of approximately 170 commonly used pesticides, Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093 . [all data]

Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T., A new gas chromatographic retention index for pesticides and related compounds, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503 . [all data]

Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G., Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix, Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y . [all data]

Climent and Miranda, 1996
Climent, M.J.; Miranda, M.A., Gas chromatographic - mass spectrometric study of photodegradation of carbamate pesticides, J. Chromatogr. A, 1996, 738, 2, 225-231, https://doi.org/10.1016/0021-9673(96)00084-2 . [all data]

Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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