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: Cyclohexane

CAS Number: 110-82-7

UN Number: 1145

Formulae: C6H12

Name: Cyclohexane

CAS Number: 110-82-7

UN Number: 1145

Formulae: C6H12

Physicochemical properties/Characteristics

E

Physical behaviour (GESAMP, 2016)

1, 2

84.162

Molecular Weight
(g/mol)

2

0.78

Density
(kg/L)

2

12.92

Vapour pressure
(KPa; 25ºC)

2

55

Water solubility
(mg/L; 25ºC)

2

0.977

Dynamic viscosity
(mPa.s; 20ºC)

2, 3

6.6

Melting point (ºC)

2

80.7

Boiling point (ºC)

2

23.9

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

7.57

Air

4, 5

91.70

Water

4, 5

0.00

Soil

4, 5

0.69

Sediment

4, 5

8.4

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

15.1

Atmosferic Oxidation (hours)

4

NR

Biodegradation rate (GESAMP, 2016)

6, 7

0.82

Aerobic biodegradation probability

4

3.73 days-weeks

Primary aerobic biodegradation half-life

4, 8

3.01 weeks

Ultimate aerobic biodegradation half-life

4, 8

55.4

Hydrocarbon Biodegradation half-life (days)

3, 4

0.12

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

0.76

Biotransformation half-life (days)

2

3.44

Partition coefficient (log Kow)

2

70.0

Bioconcentration factor (BFC)

4

3

Bioaccumulation rate (GESAMP, 2016)

9

2.57

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

-

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

1

Inhalation toxicity (GESAMP, 2016)

11

0

Skin irritation & corrosion (GESAMP, 2016)

11

1

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

-

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: 0.9 µg/L
PNECwater, intermittent: 9 µg/L

Algae

EC50

Parameter

1

3.4

Concentration
(mg/L)

Algae - Selenastrum capricornutum

Species

Biomass

Endpoint

Freshwater; Closed; 72h-exposure

Observations

1

NOEC

Parameter

1

0.9

Concentration
(mg/L)

Algae - Selenastrum capricornutum

Species

Biomass

Endpoint

Freshwater; Closed; 72h-exposure

Observations

2 Lowest
  1. Exxon; Algal Inhibition test. Exxon Biomedical Sciences, Inc., Project No. 114267, Final Report, April 1998.

Invertebrates

EC50

Parameter

1

0.9

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication, immobilization

Endpoint

Freshwater; Static; 48h-exposure

Observations

3 Lowest

LC50

Parameter

2

340

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication, immobilization

Endpoint

Freshwater; Static; 20-22 °C; 24h-exposure; ≤ 24h age

Observations

4

LC50

Parameter

3

3.4

Concentration
(mg/L)

Bay shrimp - Crangon franciscorum

Species

Mortality

Endpoint

Saltwater; Static; 24h-exposure

Observations

5

LC50

Parameter

3

2.4

Concentration
(mg/L)

Bay shrimp - Crangon franciscorum

Species

Mortality

Endpoint

Saltwater; Static; 96h-exposure

Observations

6

LC50

Parameter

1

2.2

Concentration
(mg/L)

Opossum shrimp - Mysidopsis bahia

Species

Mortality

Endpoint

Saltwater; Semi-static; 96h-exposure

Observations

7
  1. Adema DMM, van den Bos Bakker GH; Aquatic Toxicity of Compounds that may be carried by Ships (MARPOL 1973, Annex II), A Progress Report for 1986, Organisation for Applied Scientific Research (TNO), TNO-Report No R 86/326a, The Hague (1987)
  2. Bringmann G, Kuhn R; TR-79-1204, Literature Research Company, Annandale, VA: 26 p. (1977) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed October 28, 2015)
  3. Benville PE Jr et al; Calif Fish Game 71 (3): 132-140 (1985) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed October 30, 2015)

Fish

LC50

Parameter

1

126

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Static; 18-22 °C; 1h-exposure; 4-8 weeks age (Juveniles)

Observations

8

LC50

Parameter

2

4.53

Concentration
(mg/l)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 96h-exposure

Observations

9

LC50

Parameter

3

42.33

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

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

Observations

10

LC50

Parameter

3

40.6

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

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

Observations

11

LC50

Parameter

3

34.72

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

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

Observations

12

LC50

Parameter

4

15500

Concentration
(mg/L)

Western mosquitofish - Gambusia affinis

Species

Mortality

Endpoint

Freshwater; Static; 21-24 °C; 24h, 48h and 96h-exposure; Adult(s)

Observations

13

LC50

Parameter

3

42.33

Concentration
(mg/L)

Goldfish - Carassius auratus

Species

Mortality

Endpoint

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

Observations

14

LC50

Parameter

3

57.68

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 24h and 96h-exposure

Observations

15

LC50

Parameter

5

2470

Concentration
(mg/L)

Zebrafish - Danio rerio

Species

Mortality

Endpoint

Freshwater; Static; 27 °C; 48h-exposure; Embryo(s)

Observations

16

LC50

Parameter

6

8.3

Concentration
(mg/L)

Striped bass - Morone saxatilis

Species

Mortality

Endpoint

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

Observations

17
  1. Mattson VR et al; EPA-600/3-76-097, U.S.EPA, Duluth, MN: 12 p. (1976) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 18, 2017)
  2. Geiger DL et al; Acute Toxicities of Organic Chemicals to Fathead Minnows (Pimephales promelas), Vol. 5, Centre for Lake Superior Studies, University of Wisconsin Superior, WI, 332 p. (1987)
  3. Pickering QH, Henderson C; J Water Pollut Control Fed 38 (9): 1419-1429 (1966) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed October 20, 2015)
  4. Wallen IE et al; Sewage Ind Wastes 29 (6): 695-711 (1957) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed October 20, 2015)
  5. Lahnsteiner F; Alt Lab Anim (ATLA) 36 (3): 299-311 (2008) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed October 21, 2015)
  6. Benville PE Jr et al; Calif Fish Game 71 (3): 132-140 (1985) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed October 30, 2015)

Mammals

LD50

Parameter

1

813

Concentration
(mg/kg)

Mouse

Species

Mortality

Endpoint

Acute; oral

Observations

18

LD50

Parameter

1

12705

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; oral

Observations

19

LD50

Parameter

1

18000

Concentration
(mg/kg)

Rabbit

Species

Mortality

Endpoint

Acute; dermal

Observations

20

LOEC

Parameter

2

2000

Concentration
(ppm)

Mice

Species

Behaviour

Endpoint

Acute transient effects; Inhalation; 6h-day; 5d-week; 14 weeks

Observations

21

NOEC

Parameter

2

500

Concentration
(ppm)

Mice

Species

Behaviour

Endpoint

Acute transient effects; Inhalation; 6h-day; 5d-week; 14 weeks

Observations

22

LOEC

Parameter

2

7000

Concentration
(ppm)

Rat, male - Mice

Species

Increase of relative liver weights

Endpoint

Inhalation; 6h-day; 5d-week; 14 weeks

Observations

23

NOEC

Parameter

2

2000

Concentration
(ppm)

Rat, male - Mice

Species

Increase of relative liver weights

Endpoint

Inhalation; 6h-day; 5d-week; 14 weeks

Observations

24

LOEC

Parameter

2

2000

Concentration
(ppm)

Rat

Species

Diminished/absent response to an auditory alerting stimulus

Endpoint

Acute transient effects; Inhalation; 6h-day; 5d-week; 14 weeks

Observations

25

NOEC

Parameter

2

500

Concentration
(ppm)

Rat

Species

Diminished/absent response to an auditory alerting stimulus

Endpoint

Acute transient effects; Inhalation; 6h-day; 5d-week; 14 weeks

Observations

26

LOEC

Parameter

3

1500

Concentration
(mg/kg)

Rat, female

Species

Increase of kidneys dysfunctions

Endpoint

Intraperitoneal; 5d-week; 2 weeks

Observations

27

NOEC

Parameter

3

750

Concentration
(mg/kg)

Rat, female

Species

Increase of kidneys dysfunctions

Endpoint

Intraperitoneal; 5d-week; 2 weeks

Observations

28
  1. Sciencelab; Material Safety Data Sheet Cyclohexane (2005). Available at: http://www.sciencelab.com/msds.php?msdsId=9927145 (accessed October 22, 2015)
  2. Malley LA et al; Subchronic toxicity of cyclohexane in rats and mice by inhalation exposure. Drug Chem Toxicol 23 (4): 513-537 (2000)
  3. European Chemicals Bureau; IUCLID Dataset, Cyclohexane (110-82-7) p. 59 (2000 CD-ROM edition) as cited in the National Institute of Environmental Health Sciences library. Available at: https://tools.niehs.nih.gov/cebs3/ntpviews/index.cfm?action=testarticle.toxicity&cas_number=110-82-7 (accessed October 25, 2015)
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.