Captan
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MedKoo CAT#: 571288

CAS#: 133-06-2

Description: Captan is a non-systemic fungicide used to control diseases of many fruit, ornamental, and vegetable crops.


Chemical Structure

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Captan
CAS# 133-06-2

Theoretical Analysis

MedKoo Cat#: 571288
Name: Captan
CAS#: 133-06-2
Chemical Formula: C9H8Cl3NO2S
Exact Mass: 298.9341
Molecular Weight: 300.58
Elemental Analysis: C, 35.96; H, 2.68; Cl, 35.38; N, 4.66; O, 10.65; S, 10.67

Price and Availability

Size Price Availability Quantity
5.0g USD 255.0 2 Weeks
25.0g USD 675.0 2 Weeks
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Synonym: Aacaptan; Agrosol S; AI3-26538; Amercide; Bangton; Buvisild K; Captab; Captadin; Captaf; Captan; Hexacap; Captax; Glyodex 3722; Vanicide

IUPAC/Chemical Name: 3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione

InChi Key: LDVVMCZRFWMZSG-UHFFFAOYSA-N

InChi Code: InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2

SMILES Code: O=C1N(SC(Cl)(Cl)Cl)C(C2CC=CCC12)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 300.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Nesakumar N, Sethuraman S, Krishnan UM, Rayappan JB. Cyclic voltammetric acetylcholinesterase biosensor for the detection of captan in apple samples with the aid of chemometrics. Anal Bioanal Chem. 2015 Jun;407(16):4863-8. doi: 10.1007/s00216-015-8687-1. Epub 2015 Apr 21. PubMed PMID: 25895947.

2: Heredia-Ortiz R, Bouchard M. Toxicokinetic modeling of captan fungicide and its tetrahydrophthalimide biomarker of exposure in humans. Toxicol Lett. 2012 Aug 13;213(1):27-34. doi: 10.1016/j.toxlet.2011.09.023. Epub 2011 Sep 29. PubMed PMID: 21979173.

3: Nesakumar N, Ramachandra BL, Sethuraman S, Krishnan UM, Rayappan JB. Evaluation of Inhibition Efficiency for the Detection of Captan, 2,3,7,8-Tetrachlorodibenzodioxin, Pentachlorophenol and Carbosulfan in Water: An Electrochemical Approach. Bull Environ Contam Toxicol. 2016 Feb;96(2):217-23. doi: 10.1007/s00128-015-1705-3. Epub 2015 Nov 26. PubMed PMID: 26611369.

4: Gottzein AK, Musshoff F, Madea B. Systematic toxicological analysis revealing a rare case of captan ingestion. J Forensic Sci. 2013 Jul;58(4):1099-103. doi: 10.1111/1556-4029.12154. Epub 2013 May 21. PubMed PMID: 23692481.

5: Galea KS, MacCalman L, Jones K, Cocker J, Teedon P, Cherrie JW, van Tongeren M. Urinary biomarker concentrations of captan, chlormequat, chlorpyrifos and cypermethrin in UK adults and children living near agricultural land. J Expo Sci Environ Epidemiol. 2015 Nov-Dec;25(6):623-31. doi: 10.1038/jes.2015.54. Epub 2015 Sep 16. PubMed PMID: 26374656; PubMed Central PMCID: PMC4611359.

6: Berthet A, Bouchard M, Danuser B. Toxicokinetics of captan and folpet biomarkers in orally exposed volunteers. J Appl Toxicol. 2012 Mar;32(3):194-201. doi: 10.1002/jat.1653. Epub 2011 Mar 5. PubMed PMID: 21381057.

7: Sadło S, Duda M, Piechowicz B, Jaźwa A. Comparative study on disappearance trends of captan and trifloxystrobin residues on fruit and apple tree leaves using internal normalisation method. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2013;30(5):826-32. doi: 10.1080/19440049.2013.790088. Epub 2013 May 28. PubMed PMID: 23710563.

8: Hines CJ, Deddens JA, Coble J, Kamel F, Alavanja MC. Determinants of captan air and dermal exposures among orchard pesticide applicators in the Agricultural Health Study. Ann Occup Hyg. 2011 Jul;55(6):620-33. doi: 10.1093/annhyg/mer008. Epub 2011 Mar 22. PubMed PMID: 21427168; PubMed Central PMCID: PMC3131503.

9: Boran H, Capkin E, Altinok I, Terzi E. Assessment of acute toxicity and histopathology of the fungicide captan in rainbow trout. Exp Toxicol Pathol. 2012 Mar;64(3):175-9. doi: 10.1016/j.etp.2010.08.003. Epub 2010 Sep 2. PubMed PMID: 20817491.

10: Mirković B, Tanović B, Stević M, Hrustić J, Mihajlović M, Delibašić G, Vukša P. Toxicity of mancozeb, chlorothalonil, captan, fluopyram, boscalid, and difenoconazole to Didymella applanata isolates from Serbia. J Environ Sci Health B. 2015;50(12):845-50. doi: 10.1080/03601234.2015.1062648. Epub 2015 Aug 7. PubMed PMID: 26252498.

11: Zentai A, Sali J, Szabó IJ, Szeitzné-Szabó M, Ambrus A, Vásárhelyi A. Factors affecting the estimated probabilistic acute dietary exposure to captan from apple consumption. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2013;30(5):833-42. doi: 10.1080/19440049.2013.794977. Epub 2013 Jun 7. PubMed PMID: 23742211.

12: Berthet A, Heredia-Ortiz R, Vernez D, Danuser B, Bouchard M. A detailed urinary excretion time course study of captan and folpet biomarkers in workers for the estimation of dose, main route-of-entry and most appropriate sampling and analysis strategies. Ann Occup Hyg. 2012 Aug;56(7):815-28. doi: 10.1093/annhyg/mes011. Epub 2012 Mar 16. PubMed PMID: 22425654.

13: Megadi VB, Tallur PN, Mulla SI, Ninnekar HZ. Bacterial degradation of fungicide captan. J Agric Food Chem. 2010 Dec 22;58(24):12863-8. doi: 10.1021/jf1030339. Epub 2010 Dec 1. PubMed PMID: 21121628.

14: Berthet A, Bouchard M, Vernez D. Toxicokinetics of captan and folpet biomarkers in dermally exposed volunteers. J Appl Toxicol. 2012 Mar;32(3):202-9. doi: 10.1002/jat.1659. Epub 2011 Mar 5. PubMed PMID: 21381058.

15: Arce GT, Gordon EB, Cohen SM, Singh P. Genetic toxicology of folpet and captan. Crit Rev Toxicol. 2010 Jul;40(6):546-74. doi: 10.3109/10408444.2010.481663. Review. PubMed PMID: 20569196.

16: Chen K, Mackie JC, Kennedy EM, Dlugogorski BZ. Thermal decomposition of captan and formation pathways of toxic air pollutants. Environ Sci Technol. 2010 Jun 1;44(11):4149-54. doi: 10.1021/es9037935. PubMed PMID: 20433167.

17: Reuber MD. Carcinogenicity of captan. J Environ Pathol Toxicol Oncol. 1989 Mar-Apr;9(2):127-43. PubMed PMID: 2732908.

18: Luo G, Lewis RA. Inhibition of RNA polymerase by captan at both DNA and substrate binding sites. Biochem Pharmacol. 1992 Dec 1;44(11):2251-8. PubMed PMID: 1282005.

19: Stournaras C, Saridakis I, Fostinis Y, Georgoulias V. Interaction of captan with mammalian microtubules. Cell Biochem Funct. 1991 Jan;9(1):23-8. PubMed PMID: 2065433.

20: Berthet A, Bouchard M, Schüpfer P, Vernez D, Danuser B, Huynh CK. Liquid chromatography-tandem mass spectrometry (LC/APCI-MS/MS) methods for the quantification of captan and folpet phthalimide metabolites in human plasma and urine. Anal Bioanal Chem. 2011 Feb;399(6):2243-55. doi: 10.1007/s00216-010-4601-z. Epub 2011 Jan 13. PubMed PMID: 21229238. ^