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Classification & Labelling & PBT assessment

PBT assessment

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PBT assessment: overall result

PBT status:
the substance is not PBT / vPvB
Justification:

The criteria set out under REACH for determining whether a substance is PBT/vPvB are as follows:

 

Criterion

PBT criteria

vPvB criteria

P

Half-life (T½) > 60 d in marine water or

Half-life (T½) > 40 d in fresh or estuarine water or

Half-life (T½) > 180 d in marine sediment or Half-life (T½) > 120 d in fresh or estuarine water; sediment or

Half-life (T½) in soil > 120 d

Half-life (T½) > 60 d in marine fresh or estuarine water or

Half-life (T½) > 180 d in marine, fresh or estuarine water; sediment

Half-life (T½) > 180 d in soil

B

BCF > 2000 L/kg in fresh or marine aquatic species

BCF > 5000 L/kg

T

Chronic NOEC < 0.01 mg/l for marine or freshwater organisms, or

Substance is classified as carcinogenic (category 1 or 2), mutagenic (category 1 or 2), or toxic for reproduction (category 1, 2 or 3) or

There is other evidence of chronic toxicity, as identified by the classifications: T, R48, or Xn, R48 according to Directive 67/548/EEC.

Not applicable

 

Note: (a) BCF is bioconcentration factor, NOEC is no-observed effect concentration and CMR is a substance classified as carcinogenic, mutagenic or toxic for reproduction

(b) For marine environmental risk assessment, half-life data in freshwater sediment can be overruled by data obtained under marine conditions

(c) Substances are classified when they fulfil the criteria for all three inherent properties for P, B and T. However, there is certain flexibility, for instance in cases where one criterion is marginally not fulfilled but the others are exceeded considerably.

 

The above are the definitive criteria for PBT assessment and listed in Annex XIII of REACH; however, an initial screening step was carried out to identify potential candidates for more detailed PBT assessment. Constituents of the stream were evaluated for potential to be persistent, bioaccumulative or toxic using QSARs associated with EPIsuite v4. The results of these evaluations are found in the table below

Constituent

CAS

% of total composition

Log Kow

BCF
L/kg

Readily biodegradable

Acute aquatic toxicity
mg/l

butenes

107-01-7

20.8

2.09

15.5

Yes

10.0

MEK

78-93-3

0.5

0.26

3.16

Yes

184

SBA

78-92-2

5.9

0.77

3.16

Yes

90.6

C8 hydrocarbon (unsaturated)

111-66-0

(octene)

1.1

4.13

481

Yes

0.88

Dimethyl hexenes

690-93-7

(2,2-dimethyl-3-hexene)

9.4

3.94

186

Yes

1.27

SBE I & SBE II

6863-58-7

57.0

2.87

36.2

No

7.6

5-methyl-3-heptanol

18720-65-5

1.6

2.66

26.3

Yes

10.3

 

Notes

1)      For the purpose of running EPIsuite, single substances have been selected to represent unsaturated C8 hydrocarbon

2)      Log Kow has been estimated using KOWWIN v1.67

3)      BCF has been estimated using BCFBAF v3.0

4)      Ready biodegradability has been predicted using BIOWIN v4.10

5)      Acute aquatic toxicity is lowest value selected from results estimated for toxicity to fish, invertebrates and green algae using ECOSAR v1.0 (class neutral organics)

Conclusion

Screening data of the various constituents indicates that 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 has the potential to be persistent, but not bioaccumulative or toxic.

Likely routes of exposure:

This section of the report is not required for non PBT/vPvB substances.