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: Toluene

CAS Number: 108-88-3

UN Number: 1294

Formulae: C7H8

Name: Toluene

CAS Number: 108-88-3

UN Number: 1294

Formulae: C7H8

Physicochemical properties/Characteristics

E

Physical behaviour (GESAMP, 2016)

1, 2

92.141

Molecular Weight
(g/mol)

2

0.86

Density
(kg/L)

2

3.8

Vapour pressure
(KPa; 25ºC)

2

526

Water solubility
(mg/L; 25ºC)

2

0.56

Dynamic viscosity
(mPa.s; 25ºC)

2, 3

-94.9

Melting point (ºC)

2

110.6

Boiling point (ºC)

2

25.2

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

8.26

Air

4, 5

90.60

Water

4, 5

0.03

Soil

4, 5

0.97

Sediment

4, 5

8.6

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

24.6

Atmosferic Oxidation (hours)

4

R

Biodegradation rate (GESAMP, 2016)

6, 7

0.68

Aerobic biodegradation probability

4

3.65 days-weeks

Primary aerobic biodegradation half-life

4, 8

2.94 weeks

Ultimate aerobic biodegradation half-life

4, 8

4.5

Hydrocarbon Biodegradation half-life (days)

3, 4

0.21

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

0.29

Biotransformation half-life (days)

2

2.73

Partition coefficient (log Kow)

2

37.8

Bioconcentration factor (BFC)

4

2

Bioaccumulation rate (GESAMP, 2016)

9

2.27

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

0

Oral Toxicity (GESAMP, 2016)

11

0

Dermal toxicity (GESAMP, 2016)

11

0

Inhalation toxicity (GESAMP, 2016)

11

2

Skin irritation & corrosion (GESAMP, 2016)

11

2

Eye irritation & corrosion (GESAMP, 2016)

11

0

Toxicity

12

0

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

1

Carcinogenicity (IARC)

3, 13

No

Mutagenicity (GESAMP, 2016)

11

Yes

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

Yes

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: 7.4 µg/L
PNECwater, intermittent: 35 µg/L

Algae

EC50

Parameter

1

430

Concentration
(mg/L)

Algae - Skeletonema costatum

Species

Population abundance

Endpoint

Saltwater; 96h-exposure

Observations

1

NOEC

Parameter

2

10

Concentration
(mg/L)

Algae - Skeletonema costatum

Species

Population changes

Endpoint

Saltwater; Closed; 72h-exposure

Observations

2
  1. Syracuse Research Corp; EPA/OTS Doc.#40-7848049: 46 p. (1978) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 1, 2017)
  2. Heijden CA van der et al; Integrated criteria document toluene effects. National Institute of Public Health and Environmental Protection (RIVM), Appendix to Report 758473010, Bilthoven, The Netherlands (1988)

Invertebrates

EC50

Parameter

1

3.78

Concentration
(mg/L)

Water flea - Ceriodaphnia dubia

Species

Intoxication, immobilization

Endpoint

Freshwater; Renewal; 48h-exposure

Observations

3

LC50

Parameter

2

313

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Mortality

Endpoint

48h-exposure

Observations

4

LC50

Parameter

3

33

Concentration
(mg/L)

Brine shrimp - Artemia salina

Species

Mortality

Endpoint

Saltwater; 24.5 ºC; 24h-exposure

Observations

5

LC50

Parameter

4

56.3

Concentration
(mg/L)

Opossum shrimp - Americamysis bahia

Species

Mortality

Endpoint

Saltwater; 48 h, 72 h and 96h-exposure

Observations

6

LC50

Parameter

5

3.5

Concentration
(mg/L)

Bay shrimp - Crangon franciscorum

Species

Mortality

Endpoint

Saltwater; 96h-exposure

Observations

7 Lowest

LC50

Parameter

6

9.5

Concentration
(mg/L)

Daggerblade grass shrimp - Palaemonetes pugio

Species

Mortality

Endpoint

Saltwater; Static; 21 ºC; 96h-exposure

Observations

8

LC50

Parameter

7

28

Concentration
(mg/L)

Dungeness - Cancer magister

Species

Mortality

Endpoint

Saltwater; Static; 13 ºC; 96h-exposure; 1 instar age (Zoea)

Observations

9

NOEC

Parameter

1

0.74

Concentration
(mg/L)

Water flea - Ceriodaphnia dubia

Species

Reproduction

Endpoint

Freshwater; Semi-static; 7d-exposure

Observations

10 Lowest

NOEC

Parameter

8

1

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Reproduction

Endpoint

Freshwater; Renewal; 25 °C; 21d-exposure; ≤ 24 h age

Observations

11
  1. Niederlehner BR et al; Modeling acute and chronic toxicity of nonpolar narcotic chemicals and mixtures to Ceriodaphnia dubia. Ecotoxicol Environ Saf 39, 136-146 (1998)
  2. USEPA; In: Depth Studies on Health and Environ Impact of Sel Water Poll (1978) EPA 68-01-4646 as cited in NRC; Alkyl Benzenes p. 356 (1981)
  3. Price KS et al; J Water Pollut Control Fed 46: 63-77 (1974) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 10, 2017)
  4. Syracuse Research Corp; EPA/OTS Doc.#40-7848049: 46 p. (1978) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 1, 2017)
  5. Benville PE, Korn S; The acute toxicity of six monocyclic aromatic crude oil components to striped bass (Morone saxatilis) and bay shrimp (Crangon franciscorum). Calif Fish Game 63 (4): 204-209 (1977)
  6. Tatem HE et al; Estuar Coast Mar Sci 6 (4): 365-373 (1978) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 20, 2017)
  7. Caldwell RS et al; In: Wolfe DA (Ed.), Fate and Effects of Petroleum Hydrocarbons in Marine Ecosystems and Organisms, Pergamon Press, Oxford: 210-220 (1977) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 20, 2017)
  8. Kuhn R et al; Water Res 23 (4): 501-510 (1989) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 3, 2017)

Fish

LC50

Parameter

1

17

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

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

Observations

12

LC50

Parameter

1

13

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

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

Observations

13

LC50

Parameter

2

62.81

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Static; 25 ºC; 24h-exposure

Observations

14

LC50

Parameter

2

59.3

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Static; 25 ºC; 96h-exposure

Observations

15

LC50

Parameter

2

57.68

Concentration
(mg/L)

Goldfish - Carassius auratus

Species

Mortality

Endpoint

Freshwater; Static; 25 ºC; 24h, 48h and 96h-exposure

Observations

16

LC50

Parameter

3

240

Concentration
(mg/L)

Channel catfish - Ictalurus punctatus

Species

Mortality

Endpoint

96h-exposure

Observations

17

LC50

Parameter

2

56

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Static; 25 ºC; 24h and 48h-exposure

Observations

18

LC50

Parameter

2

34.27

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Static; 25 ºC; 96h-exposure

Observations

19

LC50

Parameter

4

36.2

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow-through; 24.7 °C; 96h-exposure; 31d age

Observations

20

LC50

Parameter

5

7.3

Concentration
(mg/L)

Striped bass - Morone saxatilis

Species

Mortality

Endpoint

Saltwater; Static; 16 ºC; 24h and 96h-exposure; Juvenile(s)

Observations

21

LC50

Parameter

6

5.4

Concentration
(mg/L)

Pink salmon - Oncorhynchus gorbuscha

Species

Mortality

Endpoint

Saltwater; Static; 12 °C; 96h-exposure

Observations

22

NOEC

Parameter

7

1.4

Concentration
(mg/L)

Coho salmon - Oncorhynchus kisutch

Species

Growth reduction

Endpoint

Freshwater; Flow through; 40d-exposure; fry

Observations

23

NOEC

Parameter

8

3.2

Concentration
(mg/L)

Sheepshead minnow - Cyprinodon variegatus

Species

Mortality

Endpoint

Saltwater; Flow through; 29 °C; 28d-exposure

Observations

24
  1. Buccafusco RJ et al; Bull Environ Contam Toxicol 26 (4): 446-452 (1981) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 10, 2017)
  2. Pickering QH, Henderson C; J Water Pollut Control Fed 38 (9): 1419-1429 (1966) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 20, 2017)
  3. Environment Canada; Tech Info for Problem Spills: Toluene p.71-75 (1981)
  4. Geiger DL et al; Acute Toxicities of Organic Chemicals to Fathead Minnows (Pimephales Promelas). Vol. III. Superior, WI, Center for Lake Superior Environmental Studies, University of Wisconsin, 328 p. (1986)
  5. Benville PE Jr, Korn S; The acute toxicity of six monocyclic aromatic crude oil components to striped bass (Morone saxatilis) and bay shrimp (Crangon franciscorum). Calif Fish Game 63 (4): 204-209 (1977)
  6. Thomas RE, Rice SD; The effect of exposure temperatures on oxygen consumption and opercular breathing rates of pink salmon fry exposed to toluene, naphthalene and water soluble fractions of Cook Inlet crude oil and No. 2 fuel oil. Mar Pollut 79: 39-52 (1979)
  7. Moles A et al; Reduced growth of Coho salmon fry exposed to two petroleum components, Toluene and naphthalene in fresh water. Transactions A Fish Soc 110: 430-436 (1981)
  8. Ward GS et al; Early life stage toxicity tests with a saltwater fish: effects of eight chemicals on survival, growth and development of sheepshead minnows (Cyprinodon variegatus). J Toxicol Environ Health 8: 225-240 (1981)

Mammals

LC50

Parameter

1

440

Concentration
(ppm)

Mouse

Species

Mortality

Endpoint

Inhalation; 24h-exposure

Observations

25

LC50

Parameter

2

5320

Concentration
(ppm)

Mice

Species

Mortality

Endpoint

Inhalation; 8h-exposure

Observations

26

LC50

Parameter

3

8000

Concentration
(ppm)

Rat

Species

Mortality

Endpoint

Inhalation; 4h-exposure

Observations

27

LD50

Parameter

4

59

Concentration
(mg/kg)

Mouse

Species

Mortality

Endpoint

Intraperitoneal

Observations

28

LD50

Parameter

5

1640

Concentration
(mg/kg)

Rat, female

Species

Mortality

Endpoint

Intraperitoneal

Observations

29

LD50

Parameter

1

636

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; oral

Observations

30

LD50

Parameter

1

14100

Concentration
(mg/kg)

Rabbit

Species

Mortality

Endpoint

Acute; dermal

Observations

31
  1. Sciencelab; Material Safety Data Sheet Toluene (2005). Available at: http://www.sciencelab.com/msds.php?msdsId=9927301 (accessed October 23, 2015)
  2. Klaassen CD, Amdur MO, Doull J. (eds.); Casarett and Doull's Toxicology. The Basic Science of Poisons. 5th ed. McGraw-Hill, New York, NY (1995)
  3. American Conference of Governmental Industrial Hygienists. Documentation of the TLVs and BEIs with Other World Wide Occupational Exposure Values. 7th Ed. CD-ROM Cincinnati, OH 45240-1634 2013
  4. Lewis RJ Sr; Sax's Dangerous Properties of Industrial Materials. 11th ed. Wiley-Interscience, Wiley & Sons, Inc., Hoboken, NJ. (2004)
  5. DHHS/NTP; Toxicology and Carcinogenesis Studies of Chlorobenzene in F344/N Rats and B6C3F1Mice (Inhalation Studies) p. 16 (1990) Technical Rpt Series No. 371 NIH Pub No. 90-2826
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.