Alcohols, C12-14

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

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 4.0/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable. QSAR model

Analytical monitoring:

not required

Vehicle:

no

Test organisms (species):

other: Daphnid species

Test type:

other: QSAR model

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Hardness:

not applicable. QSAR model

Test temperature:

not applicable. QSAR model

pH:

not applicable. QSAR model

Dissolved oxygen:

not applicable. QSAR model

Salinity:

not applicable. QSAR model

Nominal and measured concentrations:

not applicable. QSAR model

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):

not required

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

0.446 mg/L

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

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

111.5 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

other: (Q)SAR prediction

Remarks on result:

other: Predicted, at an water solubility loading rates of 1000 mg/L

Details on results:

The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 0.446 mg/l .This result signifies that the test substance is not expected to be 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.This is about 250 times the water solubility of the test substance.
A reliable 48 h EC50 value of 111.5 mg/L has been calculated for the effects of the test substance towards Daphnia magna. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the EC50 is 0.446 mg/L.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.

Overview of QSARs estimations on short-term aquatic toxicity of Alcohols, C12-14

to Daphnid

 

Method	Results	Remarks	Reference
QSAR estimate	Daphnid , 48-hr LC50 =0.446 mg/L (ppm)   Daphnid, 30-day, ChV (chronic value) = 0.080 mg/L (ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

 

Using the EPIWIN ECOSAR QSAR model aLC50 for fresh water Daphnid of 0.446mg/l was established. 

 

Daphnid , 48-hr LC50 =0.446 mg/L (ppm)

Daphnid, 30-day, ChV (chronic value) = 0.080 mg/L (ppm

This result signifies that the test substance is not expected to be 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.This is about 250 times the water solubility of the test substance.

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 0.446 mg/l .This result signifies that the test substance is not expected to be 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.This is about 250 times the water solubility of the test substance.
A reliable 48 h EC50 value of 111.5 mg/L has been calculated for the effects of the test substance towards Daphnia magna. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the EC50 is 0.446 mg/L.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.

Executive summary:

The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 0.446 mg/l .This result signifies that the test substance is not expected to be 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.This is about 250 times the water solubility of the test substance.

A reliable 48 h EC50 value of 111.5 mg/L has been calculated for the effects of the test substance towards Daphnia magna. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the EC50 is 0.446 mg/L.

The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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 4.0/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable. QSAR model

Analytical monitoring:

not required

Vehicle:

no

Test organisms (species):

other: Mysid shrimp

Details on test organisms:

Scientific name: Americamysis bahia
Common name: Opossum shrimp, Mysid shrimp, Mysids

Test type:

other: QSAR model

Water media type:

freshwater

Limit test:

no

Total exposure duration:

96 h

Hardness:

not applicable. QSAR model

Test temperature:

not applicable. QSAR model

pH:

not applicable. QSAR model

Dissolved oxygen:

not applicable. QSAR model

Salinity:

not applicable. QSAR model

Nominal and measured concentrations:

not applicable. QSAR model

Details on test conditions:

-Name of test material (as cited in study report:Alcohols, C12-14
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):

not required

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

0.073 mg/L

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

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

18.25 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

other: (Q)SAR prediction

Remarks on result:

other: Predicted, at water solubility loading rates of 1000 mg/L

Details on results:

The ECOSAR QSAR model predicts that LC50 for fresh water species Mysid shrimp would to be 0.073 mg/l .This result signifies that the test substance is not expected to be 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.

A 96 h LC50 value of 0.073 mg/L has been calculated for the effects of the test substance on the mortality of the Mysid shrimp. This result signifies that the test substance is not expected to be 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.
A reliable 96 h LC50 value of 18,25 mg/L has been calculated for the effects of the test substance towards Mysid shrimp. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the LC50 is 0.073 mg/L. Predicted to be non-toxic at the limit of solubility.

Overview of QSARs estimations on short-term aquatic toxicity of   Alcohols, C12 –14 to Mysid shrimp

 

Method	Results	Remarks	Reference
QSAR estimate	Mysid Shrimp, 96 -hr, LC50= 0.073 mg/L (ppm) Mysid Shrimp (SW), 30-day, ChV (chronic value) = 0.03 mg/L (ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

     

Mysid Shrimp, 96 -hr, LC50= 0.073 mg/L (ppm)

Mysid Shrimp (SW), 30-day, ChV (chronic value) = 0.03 mg/L (ppm)

 

 

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

The ECOSAR QSAR model predicts that LC50 for fresh water species Mysid shrimp would to be 0.073 mg/l .This result signifies that the test substance is not expected to be 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.

A 96 h LC50 value of 0.073 mg/L has been calculated for the effects of the test substance on the mortality of the Mysid shrimp. This result signifies that the test substance is not expected to be 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.
A reliable 96 h LC50 value of 18.25 mg/L has been calculated for the effects of the test substance towards Mysid shrimp. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the LC50 is 0.073 mg/L. Predicted to be non-toxic at the limit of solubility.

Executive summary:

The ECOSAR QSAR model predicts that LC50 for fresh water species Mysid shrimp would to be 0.073 mg/l .This result signifies that the test substance is not expected to be 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. A 96 h LC50 value of 0.073 mg/L has been calculated for the effects of the test substance on the mortality of the Mysid shrimp. This result signifies that the test substance is not expected to be 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. A reliable 96 h LC50 value of 18,25 mg/L has been calculated for the effects of the test substance towards Mysid shrimp. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the LC50 is 0.073 mg/L. Predicted to be non-toxic at the limit of solubility.

 

 

Reference 3

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Qualifier:

according to guideline

Guideline:

other: EU guideline 92/69/EWG

GLP compliance:

yes

Analytical monitoring:

yes

Details on sampling:

MONITORING OF TEST SUBSTANCE CONCENTRATION:
Yes (fluid chromatography of dichloromethane extract)
Measured concentrations of C12-FA and C14-FA were between
0.003 and 0.011 mg/l at 48 hours for 10 and 100 mg/l dose groups.

Vehicle:

not specified

Details on test solutions:

STOCK AND TEST SOLUTION AND THEIR PREPARATION
Test medium: Water accommodated fractions
Vehicle, solvent: Not reported
DILUTION WATER
Source: Not reported
Alkalinity: Not reported
Hardness: Not reported
Conductance: Not reported

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISMS
Strain: Daphnia magna
Supplier: BioInternational B.V., NJ Horn, NL
Age: 6-24 hours old
Feeding: Green algae 6hours prior to testing
Pretreatment: M4 medium / 20oC / 16h light - 8h dark
Feeding during test: No feeding according to EU guideline

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Test temperature:

20.8-20.9 degC

pH:

pH mean: 7.9

Dissolved oxygen:

Dissolved oxygen: 98.8%

Nominal and measured concentrations:

Measured concentrations of C12-FA and C14-FA were between 0.003 and 0.011 mg/l at 48 hours for 10 and 100 mg/l dose groups.
Nominal test concentrations were 1, 3, 10, 30, and 100 mg/L.

Details on test conditions:

TEST SYSTEM
Loading rates: 0, 1, 3, 10, 30, and 100 mg/l
Exposure vessel type: 100 ml flasks
Number of replicates: 2
Invertebrate per replicate: 10
Test temperature: 20.8-20.9 C
Dissolved oxygen: 98.8%
pH mean: 7.9
Intensity of irradiation: approx. 900 lux
Photoperiod: 16 hours light/ 8 hours darkness
TEST PARAMETER: Immobilization

Reference substance (positive control):

no

Duration:

48 h

Dose descriptor:

EL50

Effect conc.:

63 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: non-toxic at the limit of solubility

Duration:

48 h

Dose descriptor:

EL0

Effect conc.:

30 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: non-toxic at the limit of solubility

Duration:

48 h

Dose descriptor:

EL100

Effect conc.:

> 100 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: non-toxic at the limit of solubility

Details on results:

RESULTS: EXPOSED
EL0 30 mg/l
EL50 63 mg/l
EL100 >100 mg/l
Based on nominal loading rates
RESULTS: CONTROL
Number/% showing adverse effects: 0

Validity criteria fulfilled:

yes

Conclusions:

A 48h EL50 value of 63 mg/L has been determined for the effects of Alcohols, C12-14 on the mobility of Daphnia magna. The EL50 was obtained at a concentration above the Limit of Solubility (LoS) . The water solubility of Alcohols, C12-14 is 4.0 mg/L at 25oC .Therefore the EL50 value is >4.0 mg/L (>LoS), i.e. the test substance was not toxic at the LoS.

Executive summary:

A 48h EL50 value of 63 mg/L has been determined for the effects of Alcohols, C12-14 on the mobility of Daphnia magna. The EL50 was obtained at a concentration above the Limit of Solubility (LoS) . The water solubility of Alcohols, C12-14 is 4.0 mg/L at 25oC . Therefore the EL50 value is >4.0 mg/L (>LoS), i.e. the test substance was not toxic at the LoS.

Description of key information

The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 0.446 mg/l .This result signifies that the test substance is not expected to be 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.This is about 250 times the water solubility of the test substance.
A reliable 48 h EC50 value of 111.5 mg/L has been calculated for the effects of the test substance towards Daphnia magna. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the EC50 is 0.446 mg/L.
The water solubility of the Alcohols, C12-14 is 4.0 mg/l   at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.
The available data for marine water short-term to aquatic invertebrate 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.
 
48-hr LC50(Salt water) = 11.15 mg/L (ppm)

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

111.5 mg/L

Marine water invertebrates

Marine water invertebrates

Effect concentration:

11.15 mg/L

Additional information

The ECOSAR QSAR model predicts that LC50 for fresh water species Daphnid would to be 0.446 mg/l .This result signifies that the test substance is not expected to be 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.This is about 250 times the water solubility of the test substance.

A reliable 48 h EC50 value of 111.5 mg/L has been calculated for the effects of the test substance towards Daphnia magna. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the EC50 is 0.446 mg/L.

The water solubility of the Alcohols, C12-14 is 4.0 mg/l at 1000 mg/L loading rate at 25 degC (experimental database). This is about 250 times the water solubility of the test substance.

The available data for marine water short-term to aquatic invertebrate 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.

 

48-hr LC50(Salt water) = 11.15 mg/L (ppm)