Computational Toxicology Research Program

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Chemical Name: Distillates, petroleum, oxidized light
IUPAC Name:
CAS RN: 64742-98-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Hydrocarbon waxes, petroleum, oxidized
IUPAC Name:
CAS RN: 64743-00-6
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Petrolatum, petroleum, oxidized
IUPAC Name:
CAS RN: 64743-01-7
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Alkenes, C>10 .alpha.-
IUPAC Name: heptadec-1-ene
CAS RN: 64743-02-8
Description: mixture or formulation
STRUCTURE Formula: C17H34
Molecular Weight: 238.4519
SMILES: CCCCCCCCCCCCCCCC=C
Note: mixture of C>10 1-alkenes, structure shown C-17

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Chemical Name: Phenols, petroleum
IUPAC Name:
CAS RN: 64743-03-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Coke, petroleum, calcined
IUPAC Name:
CAS RN: 64743-05-1
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Extracts, petroleum, gas oil solvent
IUPAC Name:
CAS RN: 64743-06-2
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Sludges, petroleum, chemically neutralized
IUPAC Name:
CAS RN: 64743-07-3
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Naphthenic acids, petroleum, crude
IUPAC Name:
CAS RN: 64754-89-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, tall-oil, reaction products with polyethylenepolyamines, acetates
IUPAC Name:
CAS RN: 64754-93-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, tallow, calcium salts
IUPAC Name:
CAS RN: 64755-01-7
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Paraffins, petroleum, normal C>10
IUPAC Name:
CAS RN: 64771-71-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Paraffins, petroleum, normal C5-20
IUPAC Name:
CAS RN: 64771-72-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Carbamic acid, (aminoiminomethyl)methyl-, dimethyl deriv., ethyl ester, monohydrochloride
IUPAC Name: ethyl [(dimethylamino)(imino)methyl]methylcarbamate hydrochloride
CAS RN: 65206-90-8
Description: single chemical compound
STRUCTURE Formula: C7H16ClN3O2
Molecular Weight: 209.6738
SMILES: O=C(N(C)C(N(C)C)=N)OCC.Cl
Note:

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Chemical Name: Decanoic acid, ester with 1,2,3-propanetriol octanoate
IUPAC Name: 2-hydroxy-1-[(octanoyloxy)methyl]ethyl decanoate
CAS RN: 65381-09-1
Description: mixture or formulation
STRUCTURE Formula: C21H40O5
Molecular Weight: 372.5393
SMILES: OCC(COC(CCCCCCC)=O)OC(CCCCCCCCC)=O
Note: mixture of propanetriol esters, structure shown 2-hydroxy-1-(hydroxymethyl)ethy

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