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Phase 1 (2021) - 115 Chemicals

CASRN DTXSID  Chemical Name Category 
NOCAS_09864DTXSID801336159Fu Zi (Zhi) (Aconitum Lateralis) root extract1Botanical 
8063-12-5 DTXSID901018461Aconite Root Straight Powder1Botanical 
NOCAS_09845DTXSID301334841Bupleurum2Botanical 
NOCAS_09845DTXSID301334841Bupleurum Root Powder2Botanical 
NOCAS_09845DTXSID301334841Bupleurum Root Straight Powder2Botanical 
NOCAS_09844DTXSID101336160Guarana3Botanical 
84929-28-2 DTXSID501018738Guarana Extract3Botanical 
84929-28-2 DTXSID501018738Guarana Seed 22%3Botanical 
NOCAS_09844DTXSID001335119Guarana Seed Powder3Botanical 
NOCAS_09857DTXSID001334842Kratom Leaf Straight Powder4Botanical 
NOCAS_09857DTXSID001334842Kratom Whole Dry Leaf (Lot 1142201210)4Botanical 
NOCAS_09857DTXSID001334842Kratom Whole Dry Leaf (Lot 1110201210)4Botanical 
NOCAS_09853DTXSID701334843Wormwood5Botanical 
NOCAS_09885DTXSID301335118Wormwood Herb 10:1 5Botanical 
NOCAS_09853DTXSID601335117Wormwood HERB Powder Organic5Botanical 
NOCAS_09853DTXSID601335117Wormwood Powder5Botanical 
85117-22-2 DTXSID4032291 Yohimbe Bark 8%6Botanical 
85117-22-2 DTXSID4032291 Yohimbe Bark Extract6Botanical 
85117-22-2 DTXSID4032291 Yohimbe Extract6Botanical 
85117-22-2 DTXSID4032291 Yohimbe Extract 450 mg6Botanical 
50-81-7 DTXSID5020106 L-ascorbic acid Negative Control 
82385-42-0 DTXSID7021992 Saccharin Sodium hydrate Negative Control 
115-09-3 DTXSID5020813 Methyl mercuric chloride Positive Control 
83-79-4 DTXSID6021248 RotenonePositive Control 
320-67-2 DTXSID9020116 5-AzacytidineDrug 
134523-03-8 DTXSID6044303 Atorvastatin calcium salt Drug 
15663-27-1 DTXSID4024983 CisplatinDrug 
69-74-9 DTXSID5024891 Cytarabine hydrochloride Drug 
1051375-16-6 DTXSID90909356DolutegravirDrug 
84371-65-3 DTXSID5023322 MifepristoneDrug 
6153-64-6 DTXSID4023412 Oxytetracycline dihydrate Drug 
25637-99-4 DTXSID8025383 Hexabromocyclododecane (HBCD) Flame Retardant 
13674-84-5 DTXSID5026259 Tris (chloropropyl) phosphate Flame Retardant 
131860-33-8 DTXSID0032520 AzoxystrobinFungicide 
188425-85-6 DTXSID6034392 BoscalidFungicide 
10605-21-7 DTXSID4024729 CarbendazimFungicide 
120116-88-3 DTXSID9034492 CyazofamidFungicide 
131807-57-3 DTXSID8034588 FamoxadoneFungicide 
79622-59-6 DTXSID7032551 FluazinamFungicide 
361377-29-9 DTXSID2034625 FluoxastrobinFungicide 
143390-89-0 DTXSID2032558 Kresoxim-methylFungicide 
117428-22-5 DTXSID9047542 PicoxystrobinFungicide 
12071-83-9 DTXSID1052741 PropinebFungicide 
178928-70-6 DTXSID4034869 ProthioconazoleFungicide 
175013-18-0 DTXSID7032638 PyraclostrobinFungicide 
137-26-8 DTXSID5021332 ThiramFungicide 
43121-43-3 DTXSID3023897 TriadimefonFungicide 
141517-21-7 DTXSID4032580 TrifloxystrobinFungicide 
50471-44-8 DTXSID4022361 VinclozolinFungicide 
94-75-7 DTXSID0020442 2,4-Dichlorophenoxy acetic acid (2,4-D) Herbicide 
129909-90-6 DTXSID3034329 Amicarbazone (MKH 3586) Herbicide 
741-58-2 DTXSID9032329 BensulideHerbicide 
20243-81-6 DTXSID2037500 Bensulide oxon Herbicide 
105512-06-9 DTXSID6032354 Clodinafop-propargyl (CGA-184927) Herbicide 
CASRN DTXSID  Chemical Name Category 
759-94-4 DTXSID1024091 EPTC (S-Ethyl dipropylthiocarbamate) Herbicide 
55283-68-6 DTXSID8032386 EthalfluralinHerbicide 
141112-29-0 DTXSID5034723 IsoxaflutoleHerbicide 
29450-45-1 DTXSID5034698 MCPA.EHE (2-ethyl hexyl ester) Herbicide 
104206-82-8 DTXSID7032424 MesotrioneHerbicide 
2212-67-1 DTXSID6024206 MolinateHerbicide 
42874-03-3 DTXSID7024241 OxyfluorfenHerbicide 
365400-11-9 DTXSID2044343 Pyrasulfotole (AE 0317309) Herbicide 
447399-55-5 DTXSID4058104 Pyroxasulfone (KIH-485) Herbicide 
78-48-8 DTXSID1024174 TribufosHerbicide 
31142-56-0 DTXSID3030711 Aluminum citrate Industrial 
95-16-9 DTXSID7024586 BenzothiazoleIndustrial 
85-68-7 DTXSID3020205 Benzyl butyl phthalate Industrial 
117-81-7 DTXSID5020607 Di(2-ethylhexyl) phthalate Industrial 
84-74-2 DTXSID2021781 Di(n-butyl) phthalate Industrial 
84-69-5 DTXSID9022522 Diisobutyl phthalate Industrial 
100-41-4 DTXSID3020596 EthylbenzeneIndustrial 
67-63-0 DTXSID7020762 IsopropanolIndustrial 
3622-84-2 DTXSID7027540 N-ButylbenzenesulfonamideIndustrial 
159989-65-8 DTXSID2033736 Nelfinavir mesylate Industrial 
563-68-8 DTXSID6024331 Thallium (I) acetateIndustrial 
126-73-8 DTXSID3021986 Tributyl phosphate (TNBP)Industrial 
112-35-6 DTXSID5026912 Triethylene Glycol Monomethyl Ether (TGME)Industrial 
13252-13-6 DTXSID70880215GenX (HFPO-DA/ hexafluoropropylene oxide dimer acid Industrial-PFAS 
375-73-5 DTXSID5030030 Perfluorobutanesulfonic acid (PFBS) Industrial-PFAS 
3871-99-6 DTXSID3037709 Perfluorohexanesulfonic acid potassium salt (PFHSKslt) Industrial-PFAS 
1763-23-1 DTXSID3031864 Perfluorooctanesulfonic acid (PFOS) Industrial-PFAS 
335-67-1 DTXSID8031865 Perfluorooctanoic acid (PFOA) Industrial-PFAS 
134-62-3 DTXSID2021995 DEETInsect repellant 
105726-67-8 DTXSID5032440 N-Methylneodecanamide (MNDA) Insect repellant 
3564-98-5 DTXSID5035084 p-methane-3,8-diol (Cyclohexanemethanol) Insect repellant 
71751-41-2 DTXSID8023892 Abamectin 1 and 2 Insecticide 
68359-37-5 DTXSID5035957 BaythroidInsecticide 
82657-04-3 DTXSID9020160 BifenthrinInsecticide 
1563-66-2 DTXSID9020249 CarbofuranInsecticide 
54593-83-8 DTXSID2032344 ChlorethoxyfosInsecticide 
3957-63-9 DTXSID7037509 Chlorethoxyfos oxon Insecticide 
122453-73-0 DTXSID9032533 ChlorfenapyrInsecticide 
1315501-18-8 DTXSID40274167Cypermethrin zeta Insecticide 
962-58-3 DTXSID5037523 DiazoxonInsecticide 
62-73-7 DTXSID5020449 Dichlorvos (DDVP) Insecticide 
155569-91-8 DTXSID0034566 Emamectin benzoate Insecticide 
13194-48-4 DTXSID4032611 EthopropInsecticide 
22224-92-6 DTXSID3024102 FenamiphosInsecticide 
111812-58-9 DTXSID2032550 Fenpyroximate (Z,E) Insecticide 
69770-45-2 DTXSID8058166 FlumethrinInsecticide 
300-76-5 DTXSID1024209 NaledInsecticide 
298-02-2 DTXSID4032459 PhorateInsecticide 
2600-69-3 DTXSID4037586 Phorate oxonInsecticide 
732-11-6 DTXSID5024261 PhosmetInsecticide 
3735-33-9 DTXSID6042286 Phosmet oxon Insecticide 
96489-71-3 DTXSID5032573 PyridabenInsecticide 
96182-53-5 DTXSID1032482 TebupirimfosInsecticide 
1035330-36-9 DTXSID5037602 Tebupirimphos oxon (OMAT)Insecticide 
13071-79-9 DTXSID2022254 TerbufosInsecticide 
56070-14-5 DTXSID0037601 Terbufos oxon Insecticide 
10548-10-4 DTXSID6042444 Terbufos sulfoxide Insecticide 
22248-79-9 DTXSID1032648 TetrachlorvinphosInsecticide 
118712-89-3 DTXSID4046812 TransfluthrinInsecticide 
997-55-7 DTXSID40897219N-Acetyl-L-aspartic acid Miscellaneous 
994-36-5 DTXSID1027348 Sodium citrate Miscellaneous 

1 Aconite (Aconitum spp)
2 Bupleurum (Bupleurum chinensis)
3 Guarana (Paullinia cupana)
4 Kratom (Mitragyna speciosa)
5 Wormwood (Artemisia absinthium L.)
6 Yohimbe (Pausinystalia yohimbe)

Stock solvents: dimethyl sulfoxide (DMSO) or water (if insoluble DMSO).
Stock concentrations: target is 100 mM but ≤ 100 mM depending on solubility with 20 mM minimum except for botanicals.
For botanicals the molecular weight is unknown; stock concentrations range from 0.7 to 65 mg/mL.

Phase 2 (2023) - 108 Chemicals

CASRN  DTXSID  Chemical Name  Category  
50-81-7  DTXSID5020106  L-Ascorbic acid  Neg Control
81-81-2  DTXSID5023742  Warfarin  Neg Control
34552-83-5  DTXSID00880006  Loperamide hydrochloride  Neg Control 
73590-58-6  DTXSID6021080  Omeprazole  Neg Control
14611-52-0  DTXSID9044584  Selegiline hydrochloride  Neg Control 
103-90-2  DTXSID2020006  Acetaminophen (4-hydroxyacetanilide) (paracetamol)  Neg Control 
62571-86-2  DTXSID1037197  Captopril  Neg Control 
69-65-8  DTXSID1023235  D-Mannitol  Neg Control 
486-56-6  DTXSID1047576  Cotinine  Neg Control
132-98-9  DTXSID7021102  Penicillin VK  Neg Control
69-53-4  DTXSID4022602  Ampicillin  Neg Control 
114-07-8  DTXSID4022991  Erythromycin  Neg Control
127-69-5  DTXSID6021292  Sulfisoxazole  Neg Control
108-95-2  DTXSID5021124  Phenol  Neg Control
1772-03-8  DTXSID4031356  Galactosamine hydrochloride  Neg Control
133-90-4  DTXSID2020262  Chloramben  Neg Control
111-46-6  DTXSID8020462  Diethylene glycol  Neg Control 
54-11-5  DTXSID1020930  Nicotine  Pos Control 
75365-73-0  DTXSID001044510  Paraquat dichloride hydrate  Pos Control 
120983-64-4  DTXSID3044338  Prothioconazole-desthio  Pos Control 
365400-11-9  DTXSID2044343  Pyrasulfotole (AE 0317309)  Pos Control 
92456-72-9  DTXSID301019166  Cassava (Manihot esculenta) leaf extractBotanical 
84929-39-5  DTXSID201042091  oleander (Nerium oleander L)  Botanical 
554-35-8  DTXSID8052857  Linamarin  Botanical, component
1244-58-2 DTXSID80154318  Cannabidiolic acid  Cannabinoid 
24274-48-4 DTXSID801019159  Cannabidivarin  Cannabinoid 
25654-31-3 DTXSID701014168  Cannabigerol  Cannabinoid 
25555-57-1 DTXSID401315426  Cannabigerolic acid  Cannabinoid 
521-35-7 DTXSID3048996  cannabinol  Cannabinoid 
13956-29-1 DTXSID00871959  Cannabidiol  Cannabinoid 
20675-51-8 DTXSID80942873  Cannabichromene  Cannabinoid 
185505-15-1 DTXSID301336859  (+,-) Cannabichromenic acid  Cannabinoid 
5957-75-5 DTXSID20878586  Δ8-tetrahydrocannabinol  Cannabinoid
1972-08-3  DTXSID6021327  Δ9-tetrahydrocannabinol  Cannabinoid
31262-37-0  DTXSID10893920  Tetrahydrocannabivarin  Cannabinoid
23978-85-0  DTXSID30178701  Tetrahydrocannabinolic acid-A  Cannabinoid
95543-62-7  DTXSID401038856  (9R) Δ10-tetrahydrocannabinol  Cannabinoid
58-08-2  DTXSID0020232  Caffeine  Drug
7681-49-4DTXSID2020630Sodium fluorideDrug  
134678-17-4DTXSID7023194LamivudineDrug
58-55-9DTXSID5021336TheophyllineDrug
33419-42-0DTXSID5023035EtoposideDrug
7220-79-3DTXSID0025600Methylene blue trihydrateDrug
532-32-1DTXSID1020140Sodium benzoate

Drug, Food

Additive

5897-16-5DTXSID70207706Calcium cyclamate dihydrate

Food

Additive

94-49-5DTXSID60877972Ethylene dibenzoate

Food

Additive

80863-62-3DTXSID3043780Alitame

Food

Additive

82385-42-0DTXSID7021992Sodium Saccharin hydrate

Food

Additive

25956-17-6DTXSID4024436Allura Red C.I. 16035 (FD&C Red No. 40)Food dye
1934-21-0DTXSID1021455FD&C Yellow No. 5 (Tartrazine)Food dye
16423-68-0DTXSID7021233FD&C Red No. 3 (Erythrosine)Food dye
2783-94-0DTXSID6021456FD&C Yellow No. 6 (Sunset Yellow FCF)Food dye
3844-45-9DTXSID2020189FD&C Blue No. 1 (Brilliant Blue FCF)Food dye
860-22-0DTXSID1020190FD&C Blue No. 2 (Indigo carmine)Food dye
2353-45-9DTXSID3020673FD&C Green No. 3 (Fast Green FCF)Food dye
67306-00-7DTXSID9058157FenpropidinFungicide
149961-52-4DTXSID3057981DimoxystrobinFungicide
81591-81-3DTXSID5034939Glyphosate trimesiumHerbicide
950782-86-2DTXSID0058223Indaziflam (BCS-AA10717)Herbicide
951659-40-8DTXSID10872811Flupyradifurone (BYI 02960)Insecticide
33089-61-1DTXSID5023871AmitrazInsecticide
120738-89-8DTXSID3058292NitenpyramInsecticide
39515-41-8DTXSID0024002FenpropathrinInsecticide
39515-40-7DTXSID4032536CyphenothrinInsecticide
13410-01-0DTXSID5032076Sodium selenateInsecticide
100-42-5DTXSID2021284StyreneIndustrial
103-23-1DTXSID0020606Bis(2-Ethylhexyl) adipateIndustrial
75-25-2DTXSID1021374Tribromomethane (Bromoform)Industrial
2451-62-9DTXSID4026262Triglycidyl isocyanurateIndustrial
288-88-0DTXSID60271311,2,4-TriazoleIndustrial
101-14-4DTXSID50208654,4'-Methylene bis(2-chloroaniline)Industrial
140-66-9DTXSID9022360

4-tert-Octylphenol (4-(1,1,3,3-

Tetramethylbutyl)-phenol)

Industrial
17540-75-9DTXSID80293154-sec-Butyl-2,6-di-tert-butylphenolIndustrial
91-94-1DTXSID60204323,3'-DichlorobenzidineIndustrial, dyes
612-83-9DTXSID10204333,3'-Dichlorobenzidine dihydrochlorideIndustrial, dyes 
183658-27-7DTXSID90526862-Ethylhexyl 2,3,4,5- tetrabromobenzoate (TBB)

Industrial,

Flame

retardant

3278-89-5DTXSID30449181,3,5-Tribromo-2-(prop-2-en-1yloxy)benzene

Industrial

Flame 

retardant  

10034-96-5DTXSID4020795Manganese (II) sulfate monohydrateMetal
10026-24-1 DTXSID7020340Cobalt sulfate heptahydrateMetal
10101-97-0 DTXSID7020928Nickel sulfate hexahydrateMetal
10108-64-2DTXSID6020226Cadmium chloride

Metal,

Pos control

60-57-1DTXSID9020453DieldrinMixture*
5436-43-1DTXSID3030056

2,2',4,4'-Tetrabromodiphenyl ether

(BDE-47)

Mixture*
107534-96-3DTXSID9032113TebuconazoleMixture*
80-05-7DTXSID7020182Bisphenol A (BPA)Mixture*
2921-88-2DTXSID4020458ChlorpyrifosMixture*  
70-30-4DTXSID6020690HexachloropheneMixture*
115-09-3DTXSID5020813Methyl mercuric (II) chlorideMixture*
79-06-1DTXSID5020027AcrylamideMixture*

NOCAS_

1354859

DTXSID101354859Dieldrin + BDE-47 (2:1 molarity (Dieldrin:BDE-47))Mixture*

NOCAS_

1354860

DTXSID401354860Tebuconazole + Chlorpyrifos (10:1 molarity (Tebuconazole:Chlorpyrifos))Mixture*

NOCAS_

1354861

DTXSID101354861

Hexachlorophene + Methyl mercuric

(II) chloride (1:5 molarity

(Hexachlorophene :Methyl mercuric (II)

chloride))

Mixture*

NOCAS_

1354862

DTXSID801354862Bisphenol A + Acrylamide (1:10 molarity (Bisphenol A:Acrylamide))Mixture*

NOCAS_

1354863

DTXSID501354863BDE-47 + Chlorpyrifos (5:1 molarity (BDE-47:Chlorpyrifos))Mixture*

NOCAS_

1354864

DTXSID201354864

BDE-47 + Methyl mercuric (II) chloride

(2:1 molarity (BDE-47:Methyl mercuric

(II) chloride))

Mixture*

NOCAS_

1354865

DTXSID901354865BDE-47 + Bisphenol A (1:1 molarity (BDE-47:Bisphenol A))Mixture*  

NOCAS_

1354866

DTXSID601354866Methyl mercuric (II) chloride + Chlorpyrifos (1:10 molarity (Methyl mercuric (II) chloride:Chlorpyrifos))Mixture*

NOCAS_

1354867

DTXSID301354867Methyl mercuric (II) chloride + Bisphenol A (1:100 molarity (Methyl mercuric (II) chloride:Bisphenol A))Mixture*

NOCAS_

1354868

DTXSID001354868CEM ratio 1 (1:1:1:1:1:1:1:1 molarity of Dieldrin:BDE47:Tebuconazole:Chlorpyrifos: Hexachlorophene :Methyl mercuric (II) chloride: Bisphenol A: Acrylamide)Mixture*

NOCAS_

1354869

DTXSID701354869

CEM ratio 2 (1:10:20:100:5:5:10:200 molarity of Dieldrin:BDE-47:Tebuconazole: Chlorpyrifos:Hexachlorophene:Methyl mercuric (II) chloride: Bisphenol A:

Acrylamide)

Mixture*

NOCAS_

1354870

DTXSID001354870

CEM ratio 3 (10:10:20:10:1:1:10:20 molarity of Dieldrin:BDE-47:Tebuconazole: Chlorpyrifos:Hexachlorophene :Methyl mercuric (II) chloride: Bisphenol A:

Acrylamide)

Mixture*
376-90-9DTXSID3059927Hexafluoroamylene glycolPFAS
336-08-3DTXSID4059833Perfluorohexanedioic acidPFAS
422-05-9DTXSID40599662:1 Fluorotelomer alcoholPFAS
2706-90-3DTXSID6062599Perfluoropentanoic acid (PFPeA)PFAS
375-22-4  DTXSID4059916Perfluorobutanoic acid (PFBA)PFAS

749836-

20-2

DTXSID10892352Perfluoro-2-{[perfluoro-3-(perfluoroethoxy)-2propanyl]oxy}ethanesulfonic acid (Nafion byproduct 2)PFAS

29311-67-

9

DTXSID30892354Perfluoro-3,6-dioxa-4-methyl-7-octene-1sulfonic acid (Nafion by-product 1)PFAS

1Mixture* = Mixture or mixture component 
2Linamarin is a botanical component of Cassava. 
3Manihot esculenta is an alternate name for Manihot ultilissima which are both synonyms for the U.S. Plant Database name for Cassava, Manihot esculenta Crantz.