Metolachlor

Isotopic compositions

Manufacturer Family	Applied/standard	Isomer ?	Isomer enriched	Number of batch	Commercial Name/Formulation	Purity (%)	δ13C (‰)	± (‰)	δ37Cl (‰)	± (‰)	δ15N (‰)	± (‰)	δ2H (‰)	± (‰)	Measurement method	Reference: DOI Number	Reference Citation
Chemos	Standard	Bulk	No			?	-28.6	0.1	-4.3	0.2					EA-IRMS + GC−qMS	10.1021/acs.est.1c03981	C. Torrento, V. Ponsin, C. Lihl, T. B. Hofstetter, N. Baran, M. Elsner and D. Hunkeler, 2021.Triple-Element Compound-Specific Stable Isotope Analysis (3D-CSIA): Added Value of Cl Isotope Ratios to Assess Herbicide Degradation.Environmental Science & Technology, 55, 13891-13901.
Home-made	Standard	Bulk	No	artificial standard		na	-22.5	0.3	5.1	0.3					EA-IRMS + GC−qMS	10.1021/acs.est.1c03981	C. Torrento, V. Ponsin, C. Lihl, T. B. Hofstetter, N. Baran, M. Elsner and D. Hunkeler, 2021.Triple-Element Compound-Specific Stable Isotope Analysis (3D-CSIA): Added Value of Cl Isotope Ratios to Assess Herbicide Degradation.Environmental Science & Technology, 55, 13891-13901.
Oskar Tropitzsch	Standard	Bulk	No			na	-30.4	0.1	0	0.1	0.3	0.1			EA-IRMS + GC−qMS	10.1021/acs.est.1c03981	C. Torrento, V. Ponsin, C. Lihl, T. B. Hofstetter, N. Baran, M. Elsner and D. Hunkeler, 2021.Triple-Element Compound-Specific Stable Isotope Analysis (3D-CSIA): Added Value of Cl Isotope Ratios to Assess Herbicide Degradation.Environmental Science & Technology, 55, 13891-13901.
Chemos	Standard	Bulk	No			96.2	-28	0.2	-2.8	0.1					GC−qMS	10.1021/acs.analchem.9b02497	Ponsin, V., et al., Compound-Specific Chlorine Isotope Analysis of the Herbicides Atrazine, Acetochlor, and Metolachlor. Anal. Chem., 2019. 91(22): p. 14290-14298.
Chemos	Standard	Bulk	No			96.2	-28	0.1			0.7	0.2			EA-IRMS	10.1039/c9an00160c	Torrento C., et al, Solid-phase extraction method for stable isotope analysis of pesticides from large volume environmental water samples, Analyst, 2019, 144, 2898
Chemos	Standard	Bulk	No			96.2	-28.2	0.4			1.3	0.3			GC-IRMS	10.1039/c9an00160c	Torrento C., et al, Solid-phase extraction method for stable isotope analysis of pesticides from large volume environmental water samples, Analyst, 2019, 144, 2898
Sigma Aldrich	Standard	Bulk	No			97.2	-30.2	0.06							EA–IRMS	10.1016/j.chemosphere.2013.10.027	Elsayed, OF, et al, Using compound-specific isotope analysis to assess the degradation of chloroacetanilide herbicides in lab-scale wetlands, Chemosphere 99 (2014) 89–95
Sigma Aldrich	Standard	Bulk	No			97.2	-31	0.22							GC–C–IRMS	10.1016/j.chemosphere.2013.10.027	Elsayed, OF, et al, Using compound-specific isotope analysis to assess the degradation of chloroacetanilide herbicides in lab-scale wetlands, Chemosphere 99 (2014) 89–95
Sigma Aldrich	Standard	Bulk	No			97.2	-30.7	0.26							GC–C–IRMS extracted	10.1016/j.chemosphere.2013.10.027	Elsayed, OF, et al, Using compound-specific isotope analysis to assess the degradation of chloroacetanilide herbicides in lab-scale wetlands, Chemosphere 99 (2014) 89–95
SYNGENTA	Applied	S	Yes		Mercanto Gold / Dual Gold		-32.2	0.5			1.9	0.5			GC-C-IRMS	10.1016/j.watres.2018.03.061	Alvarez-Zaldivar P., et al, Pesticide degradation and export losses at the catchment scale: Insights from compound-specific isotope analysis (CSIA), WaterResearch, 139(2018)198e207
Unknown	Standard	S	Yes						-4.28	0.17					GC-MC-ICPMS	10.1021/acs.analchem.9b02463	Lihl, C., et al, Toward Improved Accuracy in Chlorine Isotope Analysis: Synthesis Routes for In-House Standards and Characterization via Complementary Mass Spectrometry Methods, Anal. Chem. 2019, 91, 12290−12297
SYNGENTA	Applied	S	Yes	PE-1521CHE9B00051	Mercantor Gold / Dual Gold / Camix		-31.9	0.31							GC-C-IRMS	10.5194/hess-21-5243-2017	Lutz, RS., et al, Pesticide fate on catchment scale: conceptual modelling of stream CSIA data, Hydrol. Earth Syst. Sci., 21, 5243–5261, 2017
Sigma Aldrich	Standard	S	Yes	SZBB315XV			-31.2	0.5			0.4	0.7			GC-C-IRMS	10.1016/j.chemosphere.2018.09.056	Masbou, J., et al, Carbon and nitrogen stable isotope fractionation during abiotic hydrolysis of pesticides, Chemosphere 213 (2018) 368e376
Sigma Aldrich	Standard	S	Yes				-30.2	0.2							EA–IRMS	10.1016/j.agee.2020.107257	Perez-Rodríguez, P., A. D. Schmidt, S. Gangloff, J. Masbou and G. Imfeld, 2020.Plants affect the dissipation and leaching of anilide pesticides in soil mesocosms: Insights from compound-specific isotope analysis (CSIA).Agriculture, Ecosystems and Environment, 308, 107257.
Sigma Aldrich	Standard	S	Yes			97	-30.6	0.6							GC–C–IRMS	10.1016/j.agee.2020.107257	Perez-Rodríguez, P., A. D. Schmidt, S. Gangloff, J. Masbou and G. Imfeld, 2020.Plants affect the dissipation and leaching of anilide pesticides in soil mesocosms: Insights from compound-specific isotope analysis (CSIA).Agriculture, Ecosystems and Environment, 308, 107257.
Toronto Research	Standard	S	Yes				-28.9	0.16			-0.06	0.26				10.1016/j.chemosphere.2024.141488	Masbou, J., Höhener, P., Payraudeau, S., Martin-Laurent, F., & Imfeld, G. (2024). Stable isotope composition of pesticides in commercial formulations: The ISOTOPEST database. Chemosphere, 141488.
SYNGENTA	Applied	S	Yes	PE-1415SAV8K18014	Dual Gold SAFENEUR	91	-31.93	0.2			2.22	0.44			GC-IRMS	10.1016/j.chemosphere.2024.141489	Masbou, J., Höhener, P., Payraudeau, S., Martin-Laurent, F., & Imfeld, G. (2024). Stable isotope composition of pesticides in commercial formulations: The ISOTOPEST database. Chemosphere, 141488.
SYNGENTA	Applied	S	Yes	PE-1347SAV7K17020	CAMIX 440	40	-31.69	0.15			2.64	0.26			GC-IRMS	10.1016/j.chemosphere.2024.141490	Masbou, J., Höhener, P., Payraudeau, S., Martin-Laurent, F., & Imfeld, G. (2024). Stable isotope composition of pesticides in commercial formulations: The ISOTOPEST database. Chemosphere, 141488.
SYNGENTA	Applied	S	Yes	PE-1521CHE9B00051	MERCANTOR GOLD	96	-32.6	0.5							GC-IRMS	10.1016/j.chemosphere.2024.141491	Masbou, J., Höhener, P., Payraudeau, S., Martin-Laurent, F., & Imfeld, G. (2024). Stable isotope composition of pesticides in commercial formulations: The ISOTOPEST database. Chemosphere, 141488.
SYNGENTA	Applied	S	Yes	PE-1521CHE9B00051	MERCANTOR GOLD	96	-31.34	0.15							GC-IRMS	10.1016/j.chemosphere.2024.141492	Masbou, J., Höhener, P., Payraudeau, S., Martin-Laurent, F., & Imfeld, G. (2024). Stable isotope composition of pesticides in commercial formulations: The ISOTOPEST database. Chemosphere, 141488.
PHYTEUROP	Applied	S	Yes		S-Metolastar	96	-32.15	0.16			2.19	0.1			GC-IRMS	10.1016/j.chemosphere.2024.141493	Masbou, J., Höhener, P., Payraudeau, S., Martin-Laurent, F., & Imfeld, G. (2024). Stable isotope composition of pesticides in commercial formulations: The ISOTOPEST database. Chemosphere, 141488.

Other informations

Pesticide class	Pesticide Type	Chemical formula	#C	#Cl	#N	#H	#O	Other Ele-ments	Molar mass (g/mol)	%C	%Cl	%N	%H	%O	%Others	Water solubility at 20°C (mg/l)	Melting point (°C)	Boiling point (°C)	log Kow	Soil DT 50 lab (days)	Soil DT50 field (days)	Koc (L/kg)
Chloroacetamides	Herbicide	C15H22ClNO2	15	1	1	22	1	0	283.794	67	13	5.2	8.3	6	0	530	-62		3.4	15	21	120