Alcohols, C12-14

Sediment toxicity

Link to relevant study record(s)

Reference

Endpoint:

sediment toxicity: long-term

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction:US EPA accepted QSAR method for chemicals properties assessment.

Qualifier:

according to guideline

Guideline:

other: QSAR model

Principles of method if other than guideline:

EPI Suite v 4.1/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable. QSAR model

Analytical monitoring:

not required

Vehicle:

no

Test organisms (species):

other: Earthworm

Details on test organisms:

no further information

Study type:

other: QSAR model

Test type:

other: QSAR model

Water media type:

freshwater

Type of sediment:

not specified

Limit test:

no

Duration:

14 d

Exposure phase:

total exposure duration

Hardness:

not applicable to QSAR models

Test temperature:

not applicable to QSAR models

pH:

not applicable to QSAR models

Dissolved oxygen:

not applicable to QSAR models

Salinity:

not applicable to QSAR models

Ammonia:

not applicable to QSAR models

Details on test conditions:

CAS Number:80206-82-2
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C12 H26 O1
MOL WT : 186.34
Log Kow: 4.77 (KowWin estimate)
Wat Sol: 4 mg/L (experimental database)

Reference substance (positive control):

no

Duration:

14 d

Dose descriptor:

LC50

Effect conc.:

167.217 mg/kg sediment dw

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

other: (Q)SAR prediction

Remarks on result:

other: non-toxic at the limit of solubility, as determined by (Q)SAR

Details on results:

LC50 (14-day, earthworm)= 167.217 mg/L (ppm)
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
LC50 (14-day, earthworm)= 167.217 mg/kg soil dw
The ECOSAR QSAR model predicts that 14 -day LC50 value would to be 167.217 mg/L (ppm) for freshwater sediment.Predicted to be non-toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and LC50 is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 25 degC (experimental database).

Overview of QSARs estimations on sediment toxicity of  

  Alcohols, C12-14

Method	Results	Remarks	Reference
QSAR estimate	LC50 (14-day, earthworm)=167.217 mg/L (ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

 

   

LC50 (14-day, earthworm)=167.217 mg/L (ppm)

 

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

LC50 (14-day, earthworm)= 167.217  mg/L (ppm)
1 kg of water has a volume of 1 L and the mg/kg and mg/L are the same.
LC50 (14-day, earthworm)=  167.217 mg/kg soil dw
The ECOSAR QSAR model predicts that 14 -day LC50 value would to be 167.217 mg/L (ppm) for freshwater sediment.Predicted to be non-toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and LC50 is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 25 degC (experimental database).

Executive summary:

The ECOSAR QSAR model predicts that 14 -day LC50 value would to be 167.217   mg/L (ppm) for freshwater sediment.Predicted to be non-toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and LC50 is >LoS.

The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 25 degC (experimental database).

Description of key information

The ECOSAR QSAR model predicts that 14 -day LC50 value would to be 167.217 mg/L (ppm) for freshwater sediment.Predicted to be non-toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and LC50 is >LoS.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 25 degC (experimental database). 
The available data for marine water sediment are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to LC50 following the “Guidance on Information Requirement and Chemical Safety Assessment R.10: Characterisation of dose [concentration]- response for environment”and “Table R.10-5 Assessment factors proposed for deriving PNEC water for saltwater for different data sets”, to account for the possibility that greater taxonomic diversity in the marine environment makes it likely that some marine taxa may be more sensitive than the most sensitive freshwater taxa.

Key value for chemical safety assessment

EC50 or LC50 for freshwater sediment:

167.217 mg/kg sediment dw

EC50 or LC50 for marine water sediment:

16.72 mg/kg sediment dw

EC10, LC10 or NOEC for freshwater sediment:

33.44 mg/kg sediment dw

EC10, LC10 or NOEC for marine water sediment:

3.34 mg/kg sediment dw

Additional information

PNECsediment values

There are no toxicity data for sediment-dwelling organisms.

PNECsediment values for Alcohols, C12-14 could be calculated from the aquatic values by equilibrium partitioning according to the EU Technical Guidance Document (TGD, 2002) and EPI Suite v 4.1/ECOSARv1.00.

For substances with log K_ow>5, it is normal practice to consider the possibility of additional exposure via feeding and this would need to be taken into account in any risk assessment. This is relevant to chain lengths C12 and above.

The ECOSAR QSAR model predicts that 14 -day LC50 value would to be 167.217   mg/L (ppm) for freshwater sediment.Predicted to be non-toxic at the limit of solubility.This result is above the LoS (limit of solubility), therefore the substance is non-toxic at the limit of LoS and LC50 is >LoS.

The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 25 degC (experimental database).

The available data for marine water sediment are limited and to obtaine the value for PNECs for saltwaters is taken account a assesment factor 10 to extrapolate to LC50 following the “Guidance on Information Requirement and Chemical Safety Assessment R.10: Characterisation of dose [concentration]- response for environment”and “Table R.10-5 Assessment factors proposed for deriving PNEC water for saltwater for different data sets”, to account for the possibility that greater taxonomic diversity in the marine environment makes it likely that some marine taxa may be more sensitive than the most sensitive freshwater taxa.