Fate, weathering, behaviour and toxicity of priority Hazardous and Noxious Substances

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Substance name 1-Dodecanol 1-Nonanol 1-Nonene 4-Nonylphenol Acrylonitrile Aniline Benzene Butyl acrylate Cyclohexane Cyclohexylbenzene Decanoic acid Di-2-ethylhexyl adipate Heptane Hexane Isononanol m-Cresol m-Xylene Nitrobenzene Octane Pentylbenzene Styrene Tetrachloroethylene Toluene Trichloroethene Behaviour at the sea G - Gas E - Evaporator F - Floater Fp - Floater (Persistent) D - Dissolver S - Sinker

On this database it is collected information on fate, weathering, behaviour and toxicity of priority Hazardous and Noxious Substances (HNS) from different sources. This systematized information is a useful tool to predict the behaviour of priority HNS in accidental spills, backing spill preparedness and effective decision-making process. This database also provides an important support to environmental and human health risk assessment, and monitoring actions.

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Physicochemical properties/Characteristics

FE

Physical behaviour (GESAMP, 2016)

1, 2

126.243

Molecular Weight
(g/mol)

2

0.74

Density
(kg/L)

2

0.72

Vapour pressure
(KPa; 25ºC)

2

1.12

Water solubility
(mg/L; 25ºC)

2

0.64

Dynamic viscosity
(mPa.s)

2, 3

-81.3

Melting point (ºC)

2

146.9

Boiling point (ºC)

2

58.1

Volatilization half-life (days)

4

1. G: gas; D: dissolver; E: evaporator; F: floater; S: sinker; GD: gas/dissolver; DE: dissolver/evaporator; FD: floater/dissolver; FE: floater/evaporator; FED: floater/evaporator/dissolver; Fp: persistent floater; SD: sinker/dissolver
2. Values collected from the literature and public databases e.g. PubChem
3. “-“ corresponds to values not found
4. Values estimated with models of the EPI suite^TM

Fugacity/Persistence

1.78

Air

4, 5

95.50

Water

4, 5

0.00

Soil

4, 5

2.75

Sediment

4, 5

8.1

Persistence (days)

4

4. Values estimated with models of the EPI suite^TM
5. In the present study, only emissions in water were considered

Physicochemical degradation/Biodegradation

3.7

Atmosferic Oxidation (hours)

4

-

Biodegradation rate (GESAMP, 2016)

6, 7

0.37

Aerobic biodegradation probability

4

3.93 days

Primary aerobic biodegradation half-life

4, 8

3.10 weeks

Ultimate aerobic biodegradation half-life

4, 8

5.9

Hydrocarbon Biodegradation half-life (days)

3, 4

0.37

Anaerobic Biodegradation probability

4

3. “-“ corresponds to values not found
4. Values estimated with models of the EPI suite^TM
6. Results obtained from the literature
7. GESAMP criteria consider substances to be “readily biodegradable” (R) if, in 28-day biodegradation studies, the following levels of degradation are achieved: in tests based upon dissolved organic carbon (DOC) die-away: ≥ 70%; or in tests based upon oxygen depletion or carbon dioxide generation: ≥ 60% of the theoretical maxima; or where only chemical oxygen demand (COD) and biochemical oxygen demand (BOD5) data are available, the ratio of BOD5/COD ≥ 0.5; or where other convincing scientific evidence is available to demonstrate that the substance can be degraded (biotically and/or abiotically) in the aquatic environment to a level of > 70% within a 28-day period. Otherwise they are “not readily biodegradable” (NR) (GESAMP, 2014).
8. See Table 1 in the supplementary material for more information on the rating reported by Boethling et al. (1994)

Bioaccumulation/Biotransformation

2.77

Biotransformation half-life (days)

2

5.15

Partition coefficient (log Kow)

2

1843

Bioconcentration factor (BFC)

4

4

Bioaccumulation rate (GESAMP, 2016)

9

4.47

Adsorption coefficient (log koc)

2

2. Values collected from the literature and public databases e.g. PubChem
4. Values estimated with models of the EPI suite^TM
9. See Table 2 in the supplementary material for more information on Bioaccumulation rate classification (GESAMP, 2014)

Aquatic Toxicity

3

Acute toxicity (GESAMP, 2016)

10

-

Chronic toxicity (GESAMP, 2016)

3, 10

3. “-“ corresponds to values not found
10. See Table 3 in the supplementary material for more information on Aquatic Toxicity classification (GESAMP, 2014)

Acute Mammals/Human health effects

0

Oral Toxicity (GESAMP, 2016)

11

0

Dermal toxicity (GESAMP, 2016)

11

0

Inhalation toxicity (GESAMP, 2016)

11

1

Skin irritation & corrosion (GESAMP, 2016)

11

1

Eye irritation & corrosion (GESAMP, 2016)

11

0

Toxicity

12

0

Severity

12

11. See Table 4 in the supplementary material for more information on Human health (Toxic effects to mammals) classification (GESAMP, 2014)
12. For more information on Toxicity and Severity scores consult Harold et al. (2014)

Chronic Human/Mammals health effects

-

Carcinogenicity (IARC)

3, 13

No

Mutagenicity (GESAMP, 2016)

11

No

Reprotoxicity (GESAMP, 2016)

11

No

Sensitizing to skin (GESAMP, 2016)

11

Yes

Aspiration hazard (GESAMP, 2016)

11

No

Target Organ Toxicity (GESAMP, 2016)

11

No

Sensitizing to respiratory system (GESAMP, 2016)

11

No

Neurotoxicity (GESAMP, 2016)

11

No

Immunotoxicity (GESAMP, 2016)

11

3. “-“ corresponds to values not found
11. See Table 4 in the supplementary material for more information on Human health (Toxic effects to mammals) classification (GESAMP, 2014)
13. See Table 5 in the supplementary material for more information on IARC classification

Toxicity tests results

PNECseawater: 0.006 µg/L

PNECwater, intermittent: 0.17 µg/L

References