From 423400e220ffedabdadb1e010a76137dd8b98b0f Mon Sep 17 00:00:00 2001 From: Ben Young Date: Wed, 6 Nov 2024 09:24:58 -0500 Subject: [PATCH] add toxic organics, #202 --- .../ChemicalsFlowablePrimaryContexts.csv | 33 +++++++++++++++++++ fedelemflowlist/input/ChemicalsFlowables.csv | 17 ++++++++++ 2 files changed, 50 insertions(+) diff --git a/fedelemflowlist/input/ChemicalsFlowablePrimaryContexts.csv b/fedelemflowlist/input/ChemicalsFlowablePrimaryContexts.csv index 1e86ae7d..42a541d3 100644 --- a/fedelemflowlist/input/ChemicalsFlowablePrimaryContexts.csv +++ b/fedelemflowlist/input/ChemicalsFlowablePrimaryContexts.csv @@ -15049,3 +15049,36 @@ Diflufenzopyr,Emission,Water Dibutyltin,Emission,Water Ammonium sulfate,Emission,Water Octaethylene glycol monododecyl ether,Emission,Air +2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide,Emission,Ground +2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide,Emission,Water +"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",Emission,Water +"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",Emission,Ground +"1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone",Emission,Ground +"1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone",Emission,Water +2-(4-chlorophenoxy)-2-methylpropanoic acid,Emission,Water +2-(4-chlorophenoxy)-2-methylpropanoic acid,Emission,Ground +"2,2-dichloroacetaldehyde",Emission,Water +"4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene",Emission,Ground +"4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene",Emission,Water +"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",Emission,Ground +"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",Emission,Water +[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate,Emission,Water +[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate,Emission,Ground +"1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone",Emission,Water +"1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone",Emission,Ground +(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid,Emission,Ground +(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid,Emission,Water +"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",Emission,Water +"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",Emission,Ground +(2-hydroxy-4-methoxyphenyl)-phenylmethanone,Emission,Water +(2-hydroxy-4-methoxyphenyl)-phenylmethanone,Emission,Ground +"1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone",Emission,Ground +"1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone",Emission,Water +"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",Emission,Ground +"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",Emission,Water +"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",Emission,Ground +"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",Emission,Water +"1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone",Emission,Water +"1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone",Emission,Ground +3-[bis(2-carboxyethyl)phosphanyl]propanoic acid,Emission,Ground +3-[bis(2-carboxyethyl)phosphanyl]propanoic acid,Emission,Water diff --git a/fedelemflowlist/input/ChemicalsFlowables.csv b/fedelemflowlist/input/ChemicalsFlowables.csv index 40363d20..29004eaa 100644 --- a/fedelemflowlist/input/ChemicalsFlowables.csv +++ b/fedelemflowlist/input/ChemicalsFlowables.csv @@ -5819,3 +5819,20 @@ Diflufenzopyr,109293-97-2,C15H12F2N4O3,,kg,https://pubchem.ncbi.nlm.nih.gov/comp Dibutyltin,1002-53-5,C8H18Sn,,kg,https://pubchem.ncbi.nlm.nih.gov/compound/6484,0 Ammonium sulfate,7783-20-2,H8N2O4S,diammonium sulfate diazanium,kg,https://pubchem.ncbi.nlm.nih.gov/compound/6097028,0 Octaethylene glycol monododecyl ether,3055-98-9,C28H58O9,,kg,https://pubchem.ncbi.nlm.nih.gov/compound/123921,0 +2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide,29122-68-7,,atenolol,kg,,0 +"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",134523-00-5,,atorvastatin,kg,,0 +"1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone",13171-00-1,,celestolide,kg,,0 +2-(4-chlorophenoxy)-2-methylpropanoic acid,882-09-7,,clofibric acid,kg,,0 +"2,2-dichloroacetaldehyde",79-02-7,,dichloroacetaldehyde,kg,,0 +"4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene",1222-05-5,,galaxolide,kg,,0 +"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",50678-79-0,,hydrocodone,kg,,0 +[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate,57-53-4,,meprobamate,kg,,0 +"1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone",81-14-1,,musk ketone,kg,,0 +(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid,22204-53-1,,naproxen,kg,,0 +"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",214217-86-4,,o-hydroxy atorvastatin,kg,,0 +(2-hydroxy-4-methoxyphenyl)-phenylmethanone,131-57-7,,oxybenzone,kg,,0 +"1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone",15323-35-0,,phantolide,kg,,0 +"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",214217-88-6,,p-hydroxy atorvastatin,kg,,0 +"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",57-83-0,,progesterone,kg,,0 +"1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone",21145-77-7,,tonalide,kg,,0 +3-[bis(2-carboxyethyl)phosphanyl]propanoic acid,5961-85-3,,tris(2-carboxyethyl)phosphine,kg,,0