Cyclohexanepentanol, .beta.-methyl-

Ecotoxicological Summary

Hazard for aquatic organisms

Freshwater

Hazard assessment conclusion:

PNEC aqua (freshwater)

PNEC value:

560 ng/L

Assessment factor:

1 000

Extrapolation method:

assessment factor

PNEC freshwater (intermittent releases):

5.6 µg/L

Marine water

Hazard assessment conclusion:

PNEC aqua (marine water)

PNEC value:

56 ng/L

Assessment factor:

10 000

Extrapolation method:

assessment factor

STP

Hazard assessment conclusion:

PNEC STP

PNEC value:

10 mg/L

Assessment factor:

10

Extrapolation method:

assessment factor

Sediment (freshwater)

Hazard assessment conclusion:

PNEC sediment (freshwater)

PNEC value:

158.1 µg/kg sediment dw

Extrapolation method:

equilibrium partitioning method

Sediment (marine water)

Hazard assessment conclusion:

PNEC sediment (marine water)

PNEC value:

15.8 µg/kg sediment dw

Extrapolation method:

equilibrium partitioning method

Hazard for air

Air

Hazard assessment conclusion:

no hazard identified

Hazard for terrestrial organisms

Soil

Hazard assessment conclusion:

PNEC soil

PNEC value:

31.3 µg/kg soil dw

Extrapolation method:

equilibrium partitioning method

Hazard for predators

Secondary poisoning

Hazard assessment conclusion:

PNEC oral

PNEC value:

33.3 mg/kg food

Assessment factor:

10

Additional information

Applied ECHA Guidance on information requirements and chemical safety assessment

·        Chapter R.16: Environmental Exposure Estimation (2016)

·        Chapter R.10: Characterisation of dose [concentration]-response for environment (2008)

Freshwater sediment:

Kp susp = Foc susp * Koc

Kp susp = 0.1[kgoc.kgsolid^-1]* 2788[L.kg^-1]

Kp susp= 278.8 [L.kg^-1]

 

Ksusp-water = Fwater-susp + Fsoild-susp * Kp susp /1000 * RHOsolid

Ksusp-water =0.9 [mwater³.msusp^-3] + 0.1 [msolid³.msusp^-3] * 278.8 [L.kg^-1] /1000*2500[kgsolid.msolid^-3]

Ksusp-water= 70.6 [m³.m^-3]

 

PNECwetsed = Ksusp-water / RHOsusp * PNECwater * 1000

PNECwetsed = 70.6 [m³.m^-3] / 1150 [kg.m^-3] * 0.00056 [mg.L^-1] * 1000

PNECwetsed =0.0344 [mg.kg^-1] = 34.4 [μg.kg^-1]

 

CONVsed = RHOsed / (Fsolid * RHOsolid)

CONVsed = 1150 [kg-wwt.m^-3] / (0.1 [m³.m^-3] * 2500 [kgsolid.msolid^-3])

CONVsed = 4.6 [kg-wwt.kg-dwt^-1]

 

PNECdrysed = PNECwetsed * CONVsed

PNECdrysed =34.4 [μg.kg-1]* 4.6[kg-wwr.kg-dwt^-1]

PNECdrysed =158.1 [μg.kg-dwt^-1]

Marine sediment:

Kp susp = Foc susp * Koc

Kp susp = 0.1[kgoc.kgsolid^-1]* 2788[L.kg^-1]

Kp susp= 278.8 [L.kg^-1]

 

Ksusp-water = Fwater-susp + Fsoild-susp * Kp susp /1000 * RHOsolid

Ksusp-water =0.9 [mwater³.msusp^-3] + 0.1 [msolid³.msusp^-3] * 278.8 [L.kg^-1] /1000*2500[kgsolid.msolid^-3]

Ksusp-water= 70.6 [m³.m^-3]

 

PNECwetsed = Ksusp-water / RHOsusp * PNECwater * 1000

PNECwetsed = 70.6 [m³.m^-3] / 1150 [kg.m^-3] * 0.000056 [mg.L^-1] * 1000

PNECwetsed =0.00344 [mg.kg^-1] = 3.44 [μg.kg^-1]

 

CONVsed = RHOsed / (Fsolid * RHOsolid)

CONVsed = 1150 [kg-wwt.m^-3] / (0.1 [m³.m^-3] * 2500 [kgsolid.msolid^-3])

CONVsed = 4.6 [kg-wwt.kg-dwt^-1]

 

PNECdrysed = PNECwetsed * CONVsed

PNECdrysed =3.44 [μg.kg-1]* 4.6[kg-wwr.kg-dwt^-1]

PNECdrysed =15.8 [μg.kg-dwt^-1]

Soil

Kp soil = Foc soil * Koc

Kp soil = 0.02[kgoc.kgsolid^-1]* 2788[L.kg^-1]

Kp soil= 55.76 [L.kg^-1]

 

Henry = 0.45 [Pa.m³.mol^-1] (calculated based on measured vapour pressure (at 12°C) and water solubility (at 20°C))

 

Kair-water = Henry / (R * TEMP)

Kair-water = 0.45 [Pa.m³.mol^-1]/ (8.314[Pa.m³.mol^-1.k^-1] *285[K]

Kair-water= 1.90 E-04

 

Ksoil-water = Fair-soil * Kair-water + Fwater-soil+ Fsolid-soil * Kp soil /1000 * RHOsolid

Ksoil-water = 0.2 [mair³.msoil^-3] * 1.90 E-04 + 0.2 [mwater³.msoil^-3] + 0.6 [msolid³.msoil^-3] * 55.76 [L.kg^-1] /1000*2500[kgsolid.msolid^-3] 

Ksoil-water= 83.84 [m³.m^-3]

 

PNECwetsoil= Ksoil-water / RHOsoil * PNECwater * 1000

PNECwet soil = 83.84 [m³.m^-3] / 1700 [kg-wwt.m^-3] * 0.00056 [mg.L^-1] * 1000

PNECwetsoil = 0.02762 [mg.kg-wwt^-1] = 27.62 [μg.kg-wwt^-1]

 

CONVsoil = RHOsoil / Fsolid * RHOsolid

CONVsoil = 1700 [kg-wwt.m^-3] / 0.6 [m³.m^-3] * 2500 [kgsolid.msolid^-3]

CONVsoil = 1.13 [kg-wwt.kg-dwt^-1]

 

PNECdrysoil = PNECwetsoil * CONVsoil

PNECdrysoil =27.62 [μg.kg-wwt^-1] * 1.13[kg-wwr.kg-dwt^-1]

PNECdrysoil =31.3 [μg.kg-dwt^-1]

Secondary poisoning

NOECmammal, food, chr = NOAEL mammal, oral, chr * CONVmammal

NOECmammal, food, chr = 1E-03 [kg.kg bw^-1.d^-1] * 10 [kg bw.d^–1.kg food^–1]

NOECmammal, food, chr = 0.01 [kg.kgfood^–1]

 

PNECoral = NOECmammal, food, chr / AForal

PNECoral =0.01 [kg.kgfood^–1]/ 300

PNECoral = 3.3 E-5 [kg.kg food^-1]

PNECoral = 33.33 [mg.kgfood^-1]

Conclusion on classification

Acute toxicity data for the test item are available for three trophic levels (fish, daphnia, algae). The lowest L(E)C₅₀ for Daphnia magna, i.e., the 48-h EC₅₀of 0.56 mg/L (based on dissolved test item concentration; geometric mean measured concentration), was observed in a GLP-conform standard test according to OECD 202 and is selected as acute reference value for classification.

The for one trophic level (algae) available chronic 72-h ErC₁₀ of 0.56 mg/L (based on dissolved test item concentration; geometric mean measured concentration) for the effect of the test item on the growth rate of Desmodesmus subspicatus in a GLP-conform standard test according to OECD 201 is selected as long-term reference value for classification- Further, to conclude on the long-term aquatic hazard potential, the lowest acute L(E)C₅₀of 0.56 mg/L for Daphnia magna, the readily biodegradability and the log Kow of 5.3 were considered.

Acute (short-term) aquatic hazard:

 

48-h EC₅₀ 0.56 mg/L

 

Since the lowest acute L(E)C₅₀ is ≤ 1 mg/L, classification for ACUTE/SHORT-TERM AQUATIC HAZARD Category 1 with an acute M-factor of 1 is required.

 

Chronic (long-term) aquatic hazard based on chronic, acute data and environmental fate of the product:

72-h EC₁₀ 0.56 mg/L (algae)

48-h EC₅₀ 0.56 mg/L (Daphnia)

readily biodegradable

log Kow: 5.3

Since long-term data are available for algae only, the lowest acute L(E)C50 for invertebrate and fish is ≤ 1mg/L and the log Kow is ≥ 4,classification for CHRONIC/LONG-TERM AQUATIC HAZARD Category 1 with a chronic M-factor of 1 is required.

According to Regulation (EC) No. 1272/2008 and subsequent adaptations, the test item classifies as Acute (short-term) aquatic hazard, Category Acute 1 (H400: Very toxic to aquatic life) and Long-term aquatic hazard, Category Chronic 1: (H410: Very toxic to aquatic life with long lasting effects), with an acute and chronic M-factor of 1.