Friday, March 2, 2012

Computational Toxicology Research Program




Chemical Name: Alcohols, C14-18, distn. residues
IUPAC Name:
CAS RN: 68603-19-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Amides, coco, N,N-bis(hydroxyethyl)
IUPAC Name:
CAS RN: 68603-42-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Carboxylic acids, C5-9
IUPAC Name: octanoic acid
CAS RN: 68603-84-9
Description: mixture or formulation
STRUCTURE Formula: C8H16O2
Molecular Weight: 144.2114
SMILES: CCCCCCCC(O)=O
Note: mixture on monocarboxylic acis, structure shown octanoic acid [124-07-2]


Chemical Name: Fatty acids, C8-18 and C18-unsatd., Me esters, distn. residues
IUPAC Name:
CAS RN: 68604-39-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Fuel gases, expander off
IUPAC Name:
CAS RN: 68606-09-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Gasoline, pyrolysis, debutanizer bottoms
IUPAC Name:
CAS RN: 68606-10-0
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Gasoline, straight-run, topping-plant
IUPAC Name:
CAS RN: 68606-11-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C4, butene concentrator by-product
IUPAC Name:
CAS RN: 68606-24-6
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C2-4
IUPAC Name: 2-methylprop-1-ene
CAS RN: 68606-25-7
Description: mixture or formulation
STRUCTURE Formula: C4H8
Molecular Weight: 56.1063
SMILES: CC(C)=C
Note: mixture of alkanes and alkenes, structure shown isobutene [115-11-7]


Chemical Name: Hydrocarbons, C3
IUPAC Name: prop-1-ene
CAS RN: 68606-26-8
Description: mixture or formulation
STRUCTURE Formula: C3H6
Molecular Weight: 42.0797
SMILES: CC=C
Note: mixture of propane and propenes, structure shown prop-1-ene


Chemical Name: Gases, petroleum, alkylation feed
IUPAC Name:
CAS RN: 68606-27-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C5 and C10-aliph. and C6-8-arom.
IUPAC Name:
CAS RN: 68606-28-0
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C3-5, butadiene purifn. by-product
IUPAC Name:
CAS RN: 68606-31-5
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C1-6, chloro
IUPAC Name:
CAS RN: 68606-33-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Gases, petroleum, depropanizer bottoms fractionation off
IUPAC Name:
CAS RN: 68606-34-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Hydrocarbons, C5-unsatd. rich, isoprene purifn. by-product
IUPAC Name:
CAS RN: 68606-36-0
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


Chemical Name: Petroleum products, refinery gases
IUPAC Name:
CAS RN: 68607-11-4
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:


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