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: Acrylonitrile

CAS Number: 107-13-1

UN Number: 1093

Formulae: C3H3N

Name: Acrylonitrile

CAS Number: 107-13-1

UN Number: 1093

Formulae: C3H3N

Physicochemical properties/Characteristics

DE

Physical behaviour (GESAMP, 2016)

1, 2

53.064

Molecular Weight
(g/mol)

2

0.80

Density
(kg/L)

2

14.53

Vapour pressure
(KPa; 25ºC)

2

74500

Water solubility
(mg/L; 25ºC)

2

0.34

Dynamic viscosity
(mPa.s; 25ºC)

2, 3

-83.5

Melting point (ºC)

2

77.3

Boiling point (ºC)

2

26.5

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

3.99

Air

4, 5

95.70

Water

4, 5

0.05

Soil

4, 5

0.21

Sediment

4, 5

11.4

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

30.5

Atmosferic Oxidation (hours)

4

NR

Biodegradation rate (GESAMP, 2016)

6, 7

0.79

Aerobic biodegradation probability

4

3.71 days-weeks

Primary aerobic biodegradation half-life

4, 8

3.00 weeks

Ultimate aerobic biodegradation half-life

4, 8

-

Hydrocarbon Biodegradation half-life (days)

3, 4

0.62

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

0.07

Biotransformation half-life (days)

2

0.25

Partition coefficient (log Kow)

2

1.0

Bioconcentration factor (BFC)

4

2

Bioaccumulation rate (GESAMP, 2016)

9

1.19

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

3

Acute toxicity (GESAMP, 2016)

10

0

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

2

Oral Toxicity (GESAMP, 2016)

11

3

Dermal toxicity (GESAMP, 2016)

11

3

Inhalation toxicity (GESAMP, 2016)

11

2

Skin irritation & corrosion (GESAMP, 2016)

11

2

Eye irritation & corrosion (GESAMP, 2016)

11

3

Toxicity

12

15

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

2

Carcinogenicity (IARC)

3, 13

Yes

Mutagenicity (GESAMP, 2016)

11

No

Reprotoxicity (GESAMP, 2016)

11

Yes

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: 1.7 µg/L
PNECwater, intermittent: 16.3 µg/L

Algae

EC50

Parameter

1

1.63

Concentration
(mg/L)

Algae - Skeletonema costatum

Species

Biomass

Endpoint

Saltwater; 72h-exposure

Observations

1 Lowest

NOEC

Parameter

1

0.41

Concentration
(mg/L)

Algae - Skeletonema costatum

Species

Biomass

Endpoint

Saltwater; 72h-exposure

Observations

2
  1. AN Group Washington DC; Acrylonitrile: marina alga growth inhibition test (72 hr, EC50). Inveresk Research, Tranent, Scotland (1997)

Invertebrates

EC50

Parameter

1

7.38

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication, imobilization

Endpoint

Freshwater; Renewal; 25 °C; 48h-exposure; < 24h age (Neonate)

Observations

3

EC50

Parameter

1

12.58

Concentration
(mg/L)

Brine shrimp - Artemia salina

Species

Intoxication, imobilization

Endpoint

Saltwater; Renewal; 25 °C; 48h-exposure; < 24h age (Neonate)

Observations

4

LC50

Parameter

2

10

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Mortality

Endpoint

Freshwater; Renewal; 24 °C; 48h-exposure; < 24h age

Observations

5

LC50

Parameter

3

6

Concentration
(mg/L)

Sand shrimp - Crangon crangon

Species

Mortality

Endpoint

Saltwater; Static; 15 °C; 96h-exposure

Observations

6

LC50

Parameter

4

5.81

Concentration
(mg/L)

Opossum shrimp - Americamysis bahia

Species

Mortality

Endpoint

Saltwater; Static; 21 °C; 96h-exposure; 0-72h age

Observations

7

NOEC

Parameter

5

0.5

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Reproduction

Endpoint

Freshwater; Renewal; 24 °C; 21d life-cycle test

Observations

8
  1. Zhang T et al; Chemosphere 32 (10): 2083-2093 (1996) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 2, 2015)
  2. Tong Z et al; Bull Environ Contam Toxicol 57 (4): 655-659 (1996) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 2, 2015)
  3. Adema DMM; TNO Report No. MD-N&E 76/1. Acute toxiciteitstoetsen met 1,2-dichloorethaan, fenol acrylonitril en alkylbenzeensulfonaat in seawater (1976)
  4. Carr RS; July 21 Memo to Michael DeGraeve, Battelle Columbus Laboratories, Columbus, OH: 71 p. (1987) as cited in the ECOTOX database (accessed February 3, 2017)
  5. Wellens H; Z Wasser-Abwasser-Forsch 51 (2): 49-52 (1982) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 3, 2015)

Fish

LC50

Parameter

1

50

Concentration
(mg/L)

Japanese medaka - Oryzias latipes

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 24h-exposure

Observations

9

LC50

Parameter

1

32

Concentration
(mg/L)

Japanese medaka - Oryzias latipes

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 48h-exposure

Observations

10

LC50

Parameter

2

28

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

Freshwater; Static; 21-23 °C; 24h-exposure; Young of year

Observations

11

LC50

Parameter

2

10

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

Freshwater; Static; 21-23 °C; 96h-exposure; Young of year

Observations

12

LC50

Parameter

3

11.8

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 96h-exposure

Observations

13

LC50

Parameter

3

33.5

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Static; 25 ºC; 48h and 96h-exposure

Observations

14

LC50

Parameter

4

25

Concentration
(mg/L)

Zebrafish - Danio rerio

Species

Mortality

Endpoint

Static; 96h-exposure

Observations

15

LC50

Parameter

5

15

Concentration
(mg/L)

Zebrafish - Danio rerio

Species

Mortality

Endpoint

Freshwater; Flow through; 20 °C; 48h-exposure

Observations

16

LC50

Parameter

3

10.1

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 25 ºC; 96h-exposure

Observations

17

LC50

Parameter

3

2.6

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 25 °C; 30d-exposure

Observations

18

LC50

Parameter

6

8.95

Concentration
(mg/L)

Grass carp - Ctenopharyngodon idella

Species

Mortality

Endpoint

Freshwater; Renewal; 17 °C; 48h-exposure

Observations

19

LC50

Parameter

6

4.96

Concentration
(mg/L)

Grass carp - Ctenopharyngodon idella

Species

Mortality

Endpoint

Freshwater; Renewal; 17 °C; 96h-exposure

Observations

20

LC50

Parameter

6

5.16

Concentration
(mg/L)

Grass carp - Ctenopharyngodon idellus

Species

Mortality

Endpoint

Saltwater; Semi-static; 23 °C; 96h-exposure

Observations

21

LC50

Parameter

6

18.07

Concentration
(mg/L)

Common carp - Cyprinus carpio

Species

Mortality

Endpoint

Saltwater; Renewal; 23 °C; 96h-exposure; Juvenile(s)

Observations

22

LC50

Parameter

7

8.6

Concentration
(mg/L)

Sheepshead minnow - Cyprinodon variegatus

Species

Mortality

Endpoint

Saltwater; Semi-static; 21 ± 1 °C; 96h-exposure

Observations

23

LC50

Parameter

8

24.5

Concentration
(mg/L)

Pinfish - Lagodon rhomboides

Species

Mortality

Endpoint

Saltwater; Static; 13.7-20.4 °C; 24h-exposure

Observations

24

NOEC

Parameter

9

0.17

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Growth rate

Endpoint

FELS

Observations

25 Lowest
  1. Tonogai Y et al; J Toxicol Sci 7 (3): 193-203 (1982) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 3, 2015)
  2. Buccafusco RJ et al; Bull Environm Contam Toxicol 26: 446-452 (1981) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 19, 2017)
  3. Henderson C et al; Proc. 15th Ind. Waste Conf., Eng Bull. Purdue Univ., Ser. No 106 65 (2): 120-130 (1961) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 19, 2017)
  4. Wellens H; Z Wasser-Abwasser-Forsch 51 (2): 49-52 (1982) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 3, 2015)
  5. Slooff W; Bull Environ Contam Toxicol 23 (4/5): 517-523 (1979) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 3, 2015)
  6. Zhang T et al; Quality Criteria of Acrylonitrile for the Protection of Aquatic Life in China. Chemosphere 32 (10): 2083-2093 (1996)
  7. AN Group Washington DC; Acrylonitrile: determination of acute toxicity (LC50) to Sheepshead Minnow (96 h, semi-static). Inveresk Research, Tranent, Scotland (1997)
  8. Daugherty FMJ, Garrett JT; Texas J Sci 3: 391-396 (1951) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 18, 2017)
  9. Analytical Bio Chemistry Laboratories Inc.; Early life stage toxicity of acrylonitrile to fathead minnows (Pimephales promelas) in a flow-through system. Final report No. 25673 (1980)

Amphibians

LC50

Parameter

1

13.41

Concentration
(mg/L)

Toad - Bufo bufo gargarizans

Species

Mortality

Endpoint

Freshwater; Flow through; 21 °C; 48h-exposure; 2-3d tadpole age

Observations

26

LC50

Parameter

1

11.26

Concentration
(mg/L)

Toad - Bufo bufo gargarizans

Species

Mortality

Endpoint

Freshwater; Flow through; 21 °C; 96h-exposure; 2-3d tadpole age

Observations

27
  1. Zhang T et al; Chemosphere 32 (10): 2083-2093 (1996) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 2, 2015)

Mammals

LC50

Parameter

1

425

Concentration
(ppm)

Rat

Species

Mortality

Endpoint

Acute; 4h-inhalation

Observations

28

LD50

Parameter

1

78

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; oral

Observations

29

LD50

Parameter

1

148

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; dermal

Observations

30

LD50

Parameter

1

27

Concentration
(mg/kg)

Mouse

Species

Mortality

Endpoint

Acute; oral

Observations

31

LD50

Parameter

1

35

Concentration
(mg/kg)

Mouse

Species

Mortality

Endpoint

Acute; subcutaneous

Observations

32

LD50

Parameter

1

46

Concentration
(mg/kg)

Mouse

Species

Mortality

Endpoint

Acute; intraperitoneal

Observations

33

LD50

Parameter

2

93

Concentration
(mg/kg)

Rabbit

Species

Mortality

Endpoint

Acute; oral

Observations

34

LD50

Parameter

2

280

Concentration
(mg/kg)

Rabbit

Species

Mortality

Endpoint

Acute; dermal

Observations

35
  1. Lewis RJ Sr; Sax's Dangerous Properties of Industrial Materials. 11th ed. Wiley-Interscience, Wiley & Sons, Inc., Hoboken, NJ. (2004)
  2. Snyder R; Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume II: Nitrogen and Phosphorus Solvents. Elsevier, Amsterdam-New York-Oxford (1990)
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.