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: 1-Dodecanol

CAS Number: 112-53-8

UN Number: 3077

Formulae: C12H26O

Name: 1-Dodecanol

CAS Number: 112-53-8

UN Number: 3077

Formulae: C12H26O

Physicochemical properties/Characteristics

Fp

Physical behaviour (GESAMP, 2016)

1, 2

186.339

Molecular Weight
(g/mol)

2

0.83

Density
(kg/L)

2

0.0001

Vapour pressure
(KPa; 25ºC)

2

4

Water solubility
(mg/L; 25ºC)

2

18.8

Dynamic viscosity
(mPa.s; 20ºC)

2, 3

24.0

Melting point (ºC)

2

259.0

Boiling point (ºC)

2

123.4

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

0.34

Air

4, 5

97.90

Water

4, 5

0.05

Soil

4, 5

1.67

Sediment

4, 5

13.6

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

7.1

Atmosferic Oxidation (hours)

4

R

Biodegradation rate (GESAMP, 2016)

6, 7

0.95

Aerobic biodegradation probability

4

3.98 days

Primary aerobic biodegradation half-life

4, 8

3.25 weeks

Ultimate aerobic biodegradation half-life

4, 8

-

Hydrocarbon Biodegradation half-life (days)

3, 4

0.86

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

1.11

Biotransformation half-life (days)

2

5.13

Partition coefficient (log Kow)

2

441.5

Bioconcentration factor (BFC)

4

2

Bioaccumulation rate (GESAMP, 2016)

9

3.17

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

4

Acute toxicity (GESAMP, 2016)

10

1

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

1

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

Algae

EC50

Parameter

1

0.97

Concentration
(mg/L)

Green algae - Senedesmus subspicatus

Species

Growth inhibition

Endpoint

Freshwater; 96h-exposure

Observations

1

EC10

Parameter

1

0.73

Concentration
(mg/L)

Green algae - Senedesmus subspicatus

Species

Growth inhibition

Endpoint

Freshwater; 96h-exposure

Observations

2 Lowest
  1. OECD/SIDS - 1-dodecanol. UNEP Publications. Available at: http://webnet.oecd.org/Hpv/UI/handler.axd?id=f19767ea-a6c2-4300-8763-038aa7dd0037 (accessed January 30, 2017)

Invertebrates

EC50

Parameter

1

0.81

Concentration
(mg/L)

Rotifer - Brachionus calyciflorus

Species

Decreased distance moved, change in direct movement

Endpoint

Freshwater; Static; 48h-exposure; < 3d age (Cyst)

Observations

3

EC50

Parameter

2

320

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication; immobilization

Endpoint

Freshwater; 48h-exposure

Observations

4

LC50

Parameter

3

0.9

Concentration
(mg/L)

Harpacticoid copepod - Nitocra spinipes

Species

Mortality

Endpoint

Saltwater; Static; 21 ºC; 96h-exposure; Adult(s)

Observations

5 Lowest

LD50

Parameter

4

1360

Concentration
(mg/L)

Yellow fever mosquito - Aedes aegypti

Species

Mortality

Endpoint

Flow through; 72h-exposure; Eggs

Observations

6

LD50

Parameter

4

1360

Concentration
(mg/L)

Mosquito - Aedes scutellaris

Species

Mortality

Endpoint

Flow through; 72h-exposure; Eggs

Observations

7

NOEC

Parameter

2

1.0

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Reproduction

Endpoint

Freshwater; 21d life-cycle test

Observations

8
  1. Versteeg DJ et al; Environ Toxicol Chem 16 (5): 1051-1058 (1997) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 16, 2017)
  2. OECD/SIDS - 1-dodecanol. UNEP Publications. Available at: http://webnet.oecd.org/Hpv/UI/handler.axd?id=f19767ea-a6c2-4300-8763-038aa7dd0037 (accessed January 30, 2017)
  3. Linden E et al; Chemosphere 8 (11/12): 843-851 (1979) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 16, 2017)
  4. Verschueren K; Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons, New York, NY. (2001)

Fish

LC50

Parameter

1

1.01

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

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

Observations

9
  1. Veith GD et al; ASTM Spec Tech Publ: 90-97 as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 17, 2017)

Mammals

LD50

Parameter

1

800

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; intraperitoneal

Observations

10

LD50

Parameter

2

12800

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; oral

Observations

11
  1. Sax NI; Dangerous Properties of Industrial Materials. 6th ed. Van Nostrand Reinhold, New York, NY. (1984)
  2. Lewis RJ Sr; Sax's Dangerous Properties of Industrial Materials. 11th ed. Wiley-Interscience, Wiley & Sons, Inc., Hoboken, NJ. (2004)
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.