Friday, March 2, 2012

Computational Toxicology Research Program




Chemical Name: Alkanes, C4-5
IUPAC Name: isobutane
CAS RN: 68475-60-5
Description: mixture or formulation
STRUCTURE Formula: C4H10
Molecular Weight: 58.1222
SMILES: CC(C)C
Note: mixture of butane and pentane isomers, structure shown isobutane


Chemical Name: Distillates, petroleum, catalytic reformed depentanizer
IUPAC Name:
CAS RN: 68475-79-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Distillates, petroleum, light steam-cracked naphtha
IUPAC Name:
CAS RN: 68475-80-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fatty acids, montan-wax
IUPAC Name:
CAS RN: 68476-03-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fatty acids, montan-wax, 2-hydroxyethyl esters
IUPAC Name:
CAS RN: 68476-05-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel gases
IUPAC Name:
CAS RN: 68476-26-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel gases, amine system residues
IUPAC Name:
CAS RN: 68476-27-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel gases, C6-8 catalytic reformer
IUPAC Name:
CAS RN: 68476-28-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel gases, crude oil distillates
IUPAC Name:
CAS RN: 68476-29-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel oil, no. 2
IUPAC Name:
CAS RN: 68476-30-2
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel oil, no. 4
IUPAC Name:
CAS RN: 68476-31-3
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel oil, residues-straight-run gas oils, high-sulfur
IUPAC Name:
CAS RN: 68476-32-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuel oil, residual
IUPAC Name:
CAS RN: 68476-33-5
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fuels, diesel, no. 2
IUPAC Name:
CAS RN: 68476-34-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C3-4
IUPAC Name:
CAS RN: 68476-40-4
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C4-5
IUPAC Name:
CAS RN: 68476-42-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C4-6, C5-rich
IUPAC Name: pentane
CAS RN: 68476-43-7
Description: mixture or formulation
STRUCTURE Formula: C5H12
Molecular Weight: 72.1488
SMILES: C(CCC)C
Note:


Chemical Name: Hydrocarbons, C>3
IUPAC Name:
CAS RN: 68476-44-8
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C5-10 arom. conc., ethylene-manuf.-by-product
IUPAC Name:
CAS RN: 68476-45-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C3-11, catalytic cracker distillates
IUPAC Name:
CAS RN: 68476-46-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C2-6, chloro
IUPAC Name:
CAS RN: 68476-48-2
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Hydrocarbons, C2-4, C3-rich
IUPAC Name:
CAS RN: 68476-49-3
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C.gtoreq.5, C5-6-rich
IUPAC Name:
CAS RN: 68476-50-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


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