Reaction Products of C4 alcohols and C4 alkenes obtained as by-products from the manufacturing of butan-2-ol by sulfuric acid esterification and hydrolysis of butene

Ecotoxicological Summary

Hazard for aquatic organisms

Freshwater

Hazard assessment conclusion:

PNEC aqua (freshwater)

PNEC value:

0.004 mg/L

Assessment factor:

1

Extrapolation method:

sensitivity distribution

PNEC freshwater (intermittent releases):

0.004 mg/L

Marine water

Hazard assessment conclusion:

PNEC aqua (marine water)

PNEC value:

0.004 mg/L

Assessment factor:

1

Extrapolation method:

sensitivity distribution

STP

Hazard assessment conclusion:

PNEC STP

PNEC value:

0.5 mg/L

Assessment factor:

1

Extrapolation method:

sensitivity distribution

Sediment (freshwater)

Hazard assessment conclusion:

PNEC sediment (freshwater)

PNEC value:

3.71 mg/kg sediment dw

Assessment factor:

1

Extrapolation method:

equilibrium partitioning method

Sediment (marine water)

Hazard assessment conclusion:

PNEC sediment (marine water)

PNEC value:

3.71 mg/kg sediment dw

Assessment factor:

1

Extrapolation method:

equilibrium partitioning method

Hazard for air

Air

Hazard assessment conclusion:

no hazard identified

Hazard for terrestrial organisms

Soil

Hazard assessment conclusion:

PNEC soil

PNEC value:

0.738 mg/kg soil dw

Assessment factor:

1

Extrapolation method:

equilibrium partitioning method

Hazard for predators

Secondary poisoning

Hazard assessment conclusion:

no potential to cause toxic effects if accumulated (in higher organisms) via the food chain

Additional information

Reaction Products of C4 alcohols and C4 alkenes obtained as by-products from the manufacturing of butan-2-ol by sulfuric acid esterification and hydrolysis of butene is a UVCB stream, therefore PNECs cannot be derived by conventional means, that is by applying an assessment factor to whole stream ecotoxicity data. Instead, the PNEC has been based on the constituent of the stream considered to exert the greatest effect in the aquatic environment, taking into account ecotoxicity and typical concentration. For this stream, C8 n and iso olefins, were found to be the most significant constituent and so, to present a worst case, the PNEC for the stream will be based on this class of substance.

To calculate a PNEC for C8 olefins, the HC5 QSAR equation (Di Toro et al, 2000a, 2000b, McGrath and Di Toro 2004, McGrath and Di Toro 2009, Redmann et al 2009) was selected. This model calculates an HC5 based on average physical chemical properties of the C8 aliphatic hydrocarbon block and has been derived using a range of organisms (47 species) in the training set including plants, invertebrates and fish, both fresh and marine.

Conclusion on classification

The 96 hour LL50 for fish is 61 mg/L for this SBE stream. For aquatic invertebrates the 48 hour EL50 is 32 mg/L. The 72 hour EL50 for algae is >100 mg/L for both biomass and growth. For microorganisms the EL50 was >1000. All these toxicity values are based on the nominal loading concentration of the test material. Note that none of the LL or EL50 acute test results were less than 1 mg/L. In accordance with column 2 of REACH Annex IX, the long term testing on aquatic species does not need to be conducted as the chemical safety assessment according to Annex I has not indicated a need to investigate further the long-term effects on aquatic organisms. Chronic toxicity of SBE for classification purposes was assumed based upon the lack of ready biodegradability and some constituents of the SBE stream having an estimated log Kow > 4. Overall, the environmental hazard classification for SBE is an Aquatic Chronic Category 3 because all of acute toxicity data falls within 10 – 100 mg/L and due to persistence and bioaccumulation potential .