Chlorobenzilate
- Formula: C16H14Cl2O3
- Molecular weight: 325.187
- IUPAC Standard InChI: InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
- IUPAC Standard InChIKey: RAPBNVDSDCTNRC-UHFFFAOYSA-N
- CAS Registry Number: 510-15-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzeneacetic acid, 4-chloro-α-(4-chlorophenyl)-α-hydroxy-, ethyl ester; Benzilic acid, 4,4'-dichloro-, ethyl ester; Acar; Acaraben; Akar; Akar 338; Benzilan; Chlorbenzilat; Chlorbenzylate; Compound 338; Ethyl 4,4'-dichlorobenzilate; Folbex; G 23992; G 338; Geigy 338; 4,4'-Dichlorobenzilic acid ethyl ester; Chlorobenzylate; Ethyl ester of 4,4'-dichlorobenzilic acid; Ethyl p,p'-dichlorobenzilate; Ethyl 4,4'-dichlorodiphenyl glycollate; Ethyl 4,4'-dichlorophenyl glycollate; Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate; ENT 18,596; Kop-Mite; NCI-C00408; 4,4'-Dichlorbenzilsaeureaethylester; Acaraben 4E; Akar 50; Benz-O-chlor; Chlorbenzilate; Ethyl 4-chloro-α-(4-chlorophenyl)-α-hydroxybenzeneacetate; Ethylester kyseliny 4,4-dichlorbenzilove; Folbex smoke-strips; NCI-C60413; Rcra waste number U038
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Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-1 | 2204. | Oyama, Sano, et al., 1987 | N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; Tstart: 120. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 2261. | 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 | 2262. | 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) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 3230. | Tameo and Kiyos, 1991 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 372.66 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
| Capillary | DB-5MS | 371.32 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K.,
Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices,
Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342
. [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]
Tameo and Kiyos, 1991
Tameo, O.; Kiyos, I.,
Simultaneous determination of pesticides by capillary gas chromatography,
Cannot be traslated (in Japan), 1991, 14, 2, 109-122. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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