Computational Toxicology Research Program

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Chemical Name: Dodecene, hydroformylation products, high-boiling
IUPAC Name:
CAS RN: 68526-91-0
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Dodecene, hydroformylation products, low-boiling
IUPAC Name:
CAS RN: 68526-92-1
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Nonene, hydroformylation products, low-boiling
IUPAC Name:
CAS RN: 68526-93-2
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Heptene, hydroformylation products, low-boiling
IUPAC Name:
CAS RN: 68526-96-5
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Alkenes, C12-24, chloro
IUPAC Name:
CAS RN: 68527-02-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Pentene, hydroformylation products
IUPAC Name:
CAS RN: 68527-03-7
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Heptene, hydroformylation products
IUPAC Name:
CAS RN: 68527-04-8
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Octene, hydroformylation products
IUPAC Name:
CAS RN: 68527-05-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Dodecene, hydroformylation products
IUPAC Name:
CAS RN: 68527-06-0
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Alkenes, C5
IUPAC Name: (2E)-pent-2-ene
CAS RN: 68527-11-7
Description: mixture or formulation
STRUCTURE Formula: C5H10
Molecular Weight: 70.1329
SMILES: C/C=C/CC
Note: mixture of pentenes and their Z,E isomers, structure shown (2E)-pent-2-ene, stereochem

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Chemical Name: Gases, petroleum, acid, ethanolamine scrubber
IUPAC Name:
CAS RN: 68527-13-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Gases, petroleum, oil refinery gas distn. off
IUPAC Name:
CAS RN: 68527-15-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Hydrocarbons, C1-3
IUPAC Name: ethane
CAS RN: 68527-16-2
Description: mixture or formulation
STRUCTURE Formula: C2H6
Molecular Weight: 30.069
SMILES: CC
Note: mixture of gases, structure shown ethane

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Chemical Name: Gas oils, petroleum, steam-cracked
IUPAC Name:
CAS RN: 68527-18-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Hydrocarbons, C1-4, debutanizer fraction
IUPAC Name:
CAS RN: 68527-19-5
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Naphtha, petroleum, clay-treated full-range straight-run
IUPAC Name:
CAS RN: 68527-21-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Naphtha, petroleum, clay-treated light straight-run
IUPAC Name:
CAS RN: 68527-22-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Naphtha, petroleum, light steam-cracked, debenzenized
IUPAC Name:
CAS RN: 68527-26-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Naphtha, petroleum, full-range alkylate, butane-contg.
IUPAC Name:
CAS RN: 68527-27-5
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: 1-Propene, hydroformylation products
IUPAC Name:
CAS RN: 68551-10-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: 1-Propene, hydroformylation products, high-boiling
IUPAC Name:
CAS RN: 68551-11-1
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Alkanes, C9-11-iso-
IUPAC Name: 2-methylnonane
CAS RN: 68551-16-6
Description: mixture or formulation
STRUCTURE Formula: C10H22
Molecular Weight: 142.2817
SMILES: CC(C)CCCCCCC
Note: mixture of isoalkanes, structure shown 2-methylnonane

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Chemical Name: Alkanes, C10-13-iso-
IUPAC Name: 2-methyldecane
CAS RN: 68551-17-7
Description: mixture or formulation
STRUCTURE Formula: C11H24
Molecular Weight: 156.3083
SMILES: CC(C)CCCCCCCC
Note: mixture of isoalkanes, structure shown 2-methyldecane

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