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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Categories

Categories

Category name:
1002_Aliphatic Carbon [-CH3]Aliphatic Carbon [-CH2- ]Aliphatic Carbon [CH]Ester, aliphatic attach [-C(=O)O]Tertiary Carbon (Organic functional groups (US EPA))

Justifications and discussions

Category definition:
The category consists of 17 substances, identified by the use of OECD QSAR Toolbox for predicting the NOAEL for the endpoint reproductive toxicity. The category was developed by applying subcatogarising steps within OECD QSAR Toolbox. For details, please refer to attached Reports

The category members are defined by the following profiles, available in OECDQSAR Toolbox:

Organic functional groups (US EPA): Miscellaneous sulfide (=S) or oxide (=O); Aliphatic Carbon [-CH3]; Aliphatic Carbon [-CH2-]; Aliphatic Carbon [CH]; Olefinic carbon [=CH- or =C<]; Hydroxy, aliphatic attach [-OH]; Carbonyl, aliphatic attach [-C(=O)-]; Ester, aliphatic attach [-C(=O)O]; Tertiary Carbon
Substance type: Discrete chemical; Mono constituent (predefined); Organic
Estrogen Receptor Binding (subcategorization): Non binder, MW>500
Chemical elements (subcategorization): Group 14 - Carbon C; Group 16 - Oxygen O
US-EPA New Chemical Categories (subcategorization): Not categorized
Category description:
Primary category: Aliphatic Carbon [-CH3]Aliphatic Carbon [-CH2- ]Aliphatic Carbon [CH]Ester, aliphatic attach [-C(=O)O]Tertiary Carbon (Organic functional groups (US EPA))
Category rationale:
The category was developed by applying valid steps in OECD QSAR Toolbox category definition and subcategorisation. OECD QSAR Toolbox is an internationally acknowledge software with data from various public sources on chemicals. Therefore this category is considered valid and applicable for purposes of REACH.