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

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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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Name: 4-Nonylphenol

CAS Number: 104-40-5

UN Number: 3145

Formulae: C15H24O

Name: 4-Nonylphenol

CAS Number: 104-40-5

UN Number: 3145

Formulae: C15H24O

Physicochemical properties/Characteristics

Fp

Physical behaviour (GESAMP, 2016)

1, 2

220.356

Molecular Weight
(g/mol)

2

0.95

Density
(kg/L)

2

0.0001

Vapour pressure
(KPa; 25ºC)

2

7

Water solubility
(mg/L; 25ºC)

2

2.5

Dynamic viscosity
(mPa.s; 20ºC)

2, 3

42.0

Melting point (ºC)

2

295.0

Boiling point (ºC)

2

1966.0

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 suiteTM

Fugacity/Persistence

0.00

Air

4, 5

48.80

Water

4, 5

0.08

Soil

4, 5

51.20

Sediment

4, 5

26.8

Persistence (days)

4
  1. Values estimated with models of the EPI suiteTM
  2. In the present study, only emissions in water were considered

Physicochemical degradation/Biodegradation

2.5

Atmosferic Oxidation (hours)

4

NR

Biodegradation rate (GESAMP, 2016)

6, 7

0.51

Aerobic biodegradation probability

4

3.77 days

Primary aerobic biodegradation half-life

4, 8

2.99 weeks

Ultimate aerobic biodegradation half-life

4, 8

-

Hydrocarbon Biodegradation half-life (days)

3, 4

0.20

Anaerobic Biodegradation probability

4
  1. “-“ corresponds to values not found
  2. Values estimated with models of the EPI suiteTM
  3. Results obtained from the literature
  4. 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).
  5. See Table 1 in the supplementary material for more information on the rating reported by Boethling et al. (1994)

Bioaccumulation/Biotransformation

1.33

Biotransformation half-life (days)

2

5.76

Partition coefficient (log Kow)

2

221.0

Bioconcentration factor (BFC)

4

4

Bioaccumulation rate (GESAMP, 2016)

9

4.43

Adsorption coefficient (log koc)

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

Aquatic Toxicity

5

Acute toxicity (GESAMP, 2016)

10

3

Chronic toxicity (GESAMP, 2016)

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

Acute Mammals/Human health effects

1

Oral Toxicity (GESAMP, 2016)

11

0

Dermal toxicity (GESAMP, 2016)

11

3

Inhalation toxicity (GESAMP, 2016)

11

3

Skin irritation & corrosion (GESAMP, 2016)

11

3

Eye irritation & corrosion (GESAMP, 2016)

11

7

Toxicity

12

28

Severity

12
  1. See Table 4 in the supplementary material for more information on Human health (Toxic effects to mammals) classification (GESAMP, 2014)
  2. 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

No

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

Toxicity tests results
PNECseawater: 0.03 µg/L
PNECwater, intermittent: 0.21 µg/L

Algae

EC50

Parameter

1

0.027

Concentration
(mg/L)

Algae - Skeletonema costatum

Species

Growth

Endpoint

Saltwater; 21-22 °C; 96h-exposure; 4-nonylphenol

Observations

1

EC50

Parameter

2

0.0563

Concentration
(mg/L)

Green algae - Scenedesmus subspicatus

Species

Biomass

Endpoint

Freshwater; 72h-exposure; nonylphenol

Observations

2

EC10

Parameter

2

0.0033

Concentration
(mg/L)

Green algae - Scenedesmus subspicatus

Species

Biomass

Endpoint

Freshwater; 72h-exposure; nonylphenol

Observations

3 Lowest
  1. Ward TJ, Boeri RL; Acute static toxicity of nonylphenol to the marine alga (Skeletonema costatum). Report prepared for Chemical Manufactures Association by Resource Analysts. Study No 8970-CMA (1990)
  2. Kopf W; Wirkung endokriner stoffe in biotests mit wasserogranismen. In Stoffe mit endokriner wirkung in wasser. Bayerisches landesamt für wasserwirtschaft, Institut für Wasserforschung München (ed) Oldenbourg (1997)

Invertebrates

EC50

Parameter

1

0.085

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication; immobilization

Endpoint

Freshwater; Static; 48h-exposure; < 24h age; nonylphenol

Observations

4

EC50

Parameter

1

0.0207

Concentration
(mg/L)

Amphipod - Hyalella azteca

Species

Mortality

Endpoint

Freshwater; Flow through; 96h-exposure; nonylphenol

Observations

5 Lowest

LC50

Parameter

2

3

Concentration
(mg/L)

Bay mussel - Mytilus trossulos

Species

Mortality

Endpoint

Saltwater; 96h-exposure; nonylphenol

Observations

6

LC50

Parameter

3

0.043

Concentration
(mg/L)

Opossum Shrimp - Mysidopsis bahia

Species

Mortality

Endpoint

Saltwater; Flow through; 23.8-25.3 °C; 96h-exposure; 4-nonylphenol

Observations

7

NOEC

Parameter

4

0.024

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Offspring survival

Endpoint

Freshwater; 21d life-cycle test; nonylphenol

Observations

8

NOEC

Parameter

5

0.0039

Concentration
(mg/L)

Opossum shrimp - Mysidopsis bahia

Species

Length

Endpoint

Saltwater; 28d-exposure; 4-nonylphenol

Observations

9
  1. Brooke LT; Acute and chronic toxicity of nonylphenol to ten species of aquatic organisms. USEPA Draft Report, EPA Contract No 68-C1-003 (1993)
  2. Verschueren K; Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons, New York, NY. (2001)
  3. Ward TJ, Boeri RL; Acute flow through toxicity of nonylphenol to the mysid (Mysidopsis bahia). Report prepared for Chemical Manufactures Association by Resource Analysts. Study No 8974-CMA (1990)
  4. Comber MHI et al; The effects of nonylphenol on Daphnia magna. Water Research 27 (2): 273-276 (1993)
  5. Ward TJ, Boeri RL; Chronic toxicity of nonylphenol to the mysid (Mysidopsis bahia). Report prepared for Chemical Manufactures Association by Resource Analysts. Study No 8977-CMA (1991)

Fish

LC50

Parameter

1

0.95

Concentration
(mg/L)

Golden orfe - Leuciscus idus

Species

Mortality

Endpoint

Freshwater; 48h-exposure; nonylphenol

Observations

10

LC50

Parameter

2

0.164

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 ºC; 48h-exposure; 31-35d age; nonylphenol

Observations

11

LC50

Parameter

2

0.137

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 ºC; 72h-exposure; 31-35d age; nonylphenol

Observations

12

LC50

Parameter

2

0.135

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 ºC; 96h-exposure; 31-35d age; nonylphenol

Observations

13

LC50

Parameter

3

0.128

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 20-26 °C; 96h-exposure; nonylphenol

Observations

14

LC50

Parameter

4

0.31

Concentration
(mg/L)

Sheepshead minnow - Cyprinodon variegatus

Species

Mortality

Endpoint

Saltwater; Flow through; 22 ± 2 °C; 96h-exposure; 4-nonylphenol

Observations

15

NOEC

Parameter

5

0.0074

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Survival

Endpoint

Freshwater; 33d-exposure; 4-nonylphenol

Observations

16
  1. Verschueren K; Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons, New York, NY. (2001)
  2. Holcombe GW et al; Environ Pollut A 35 (4): 367-381 (1984) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 9, 2015)
  3. Brooke LT; Acute and chronic toxicity of nonylphenol to ten species of aquatic organisms. USEPA Draft Report, EPA Contract No 68-C1-003 (1993)
  4. Ward TJ, Boeri RL; Acute flow through toxicity of nonylphenol to the sheepshead minnow (Cyprinodon variegatus). Report prepared for Chemical Manufactures Association by Resource Analysts. Study No 8972-CMA (1990)
  5. Ward TJ, Boeri RL; Early life stage toxicity of nonylphenol to the fathead minnow (Pimephales promelas). Report prepared for Chemical Manufactures Association by Resource Analysts. Study No 8979-CMA (1991)

Mammals

LD50

Parameter

1

1620

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; oral; nonylphenol

Observations

17

LD50

Parameter

1

2140

Concentration
(mg/kg)

Rabbit

Species

Mortality

Endpoint

Acute; dermal; nonylphenol

Observations

18
  1. Lewis RJ; Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. Van Nostrand Reinhold, New York, NY. (1996)
References

Boethling RS, Howard PH, Meylan W, Stiteler W, Beauman J, Tirado N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28: 459-465.

Bonn Agreement, 1994. European Classification System, Bonn Agreement: Counter-Pollution Manual. Bonn Agreement, London (Chapter 25).

GESAMP (IMO/FAO/UNESCO-IOC/WMO/WHO/IAEA/UN/UNEP Joint Group of Experts on the Scientific Aspects of Marine Environmental Protection), 2014. Revised GESAMP Hazard Evaluation Procedure for Chemical Substances Carried by Ships, 2nd edition. Rep. Stud. GESAMP No. 64, 126 pp.

GESAMP Composite List, 2016. ANNEX 5 – UPDATED GESAMP COMPOSITE LIST. Available at: https://edocs.imo.org/Final Documents/English/PPR 1-CIRC.3 (E).docx (Accessed: December 12, 2016).

Harold PD, Souza AS, Louchart P, Russell D, Brunt H, 2014. Development of a risk based prioritisation methodology to inform public health emergency planning and preparedness in case of accidental spill at sea of hazardous and noxious substances (HNS). Environ. Int. 72: 157-163.