Thursday, March 1, 2012

Computational Toxicology Research Program




Chemical Name: 1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., inner salts
IUPAC Name:
CAS RN: 61789-40-0
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Fatty acids, dehydrated castor-oil
IUPAC Name:
CAS RN: 61789-45-5
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Naphthenic acids, cobalt salts
IUPAC Name: Cobalt naphthenate
CAS RN: 61789-51-3
Description: mixture or formulation
STRUCTURE Formula: C20H34CoO4
Molecular Weight: 397.4148
SMILES: O=C(CCC1CC(CC1)CC)[O-].O=C(CCC2CC(CC2)CC)[O-].[Co+2]
Note: mixture of carboxylic acid derivatives recovered from petroleum refining, most common class is derived from cyclopentane with various alkyl side chains, structure shown cobalt(2+) bis[3-(3-ethylcyclopentyl)propanoate]; replicate parent


Chemical Name: Fatty acids, tall-oil, cobalt salts
IUPAC Name:
CAS RN: 61789-52-4
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Nitriles, coco
IUPAC Name:
CAS RN: 61789-53-5
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Resin acids and Rosin acids, aluminum salts
IUPAC Name:
CAS RN: 61789-65-9
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Quaternary ammonium compounds, benzyl(hydrogenated tallow alkyl)dimethyl, chlorides
IUPAC Name:
CAS RN: 61789-72-8
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Quaternary ammonium compounds, benzylbis(hydrogenated tallow alkyl)methyl, chlorides
IUPAC Name:
CAS RN: 61789-73-9
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Quaternary ammonium compounds, dicoco alkyldimethyl, chlorides
IUPAC Name:
CAS RN: 61789-77-3
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Quaternary ammonium compounds, bis(hydrogenated tallow alkyl)dimethyl, chlorides
IUPAC Name:
CAS RN: 61789-80-8
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Quaternary ammonium compounds, bis(hydrogenated tallow alkyl)dimethyl, Me sulfates
IUPAC Name:
CAS RN: 61789-81-9
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Sulfonic acids, petroleum
IUPAC Name:
CAS RN: 61789-85-3
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Sulfonic acids, petroleum, calcium salts
IUPAC Name:
CAS RN: 61789-86-4
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Sulfonic acids, petroleum, magnesium salts
IUPAC Name:
CAS RN: 61789-87-5
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Tallow
IUPAC Name:
CAS RN: 61789-97-7
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Lard
IUPAC Name:
CAS RN: 61789-99-9
Description: mixture of formulation
STRUCTURE Formula:
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Chemical Name: Fatty acids, tall-oil
IUPAC Name:
CAS RN: 61790-12-3
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Naphthenic acids, sodium salts
IUPAC Name: sodium 3-(3-ethylcyclopentyl)propanoate
CAS RN: 61790-13-4
Description: mixture or formulation
STRUCTURE Formula: C10H17NaO2
Molecular Weight: 192.2306
SMILES: O=C([O-])CCC1CC(CC)CC1.[Na+]
Note: mixture of carboxylic acid derivatives recovered from petroleum refining, most common class is derived from cyclopentane with various alkyl side chains, structure shown sodium 3-(3-ethylcyclopentyl)propanoate


Chemical Name: Amines, soya alkyl
IUPAC Name:
CAS RN: 61790-18-9
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Nitriles, tallow
IUPAC Name:
CAS RN: 61790-28-1
Description: mixture or formulation
STRUCTURE Formula:
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Chemical Name: Nitriles, tallow, hydrogenated
IUPAC Name:
CAS RN: 61790-29-2
Description: mixture or formulation
STRUCTURE Formula:
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