Alcohols, C12-14

Long-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

long-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

Principles of method if other than guideline:

EPI Suite v 4.0/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable to QSAR models

Analytical monitoring:

not required

Vehicle:

not specified

Test organisms (species):

other: Daphnid species

Details on test organisms:

no further information

Test type:

other: QSAR model

Water media type:

freshwater

Limit test:

no

Total exposure duration:

30 d

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

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:

30 d

Dose descriptor:

NOEC

Effect conc.:

0.08 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:

30 d

Dose descriptor:

NOEC

Effect conc.:

20 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:

Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) = 0.08 mg/L (ppm).
A NOEC value of 0.08 mg/L has been calculated for the effects of the test substance on the mortality of the Daphnid. 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 NOEC is >LoS.
A reliable NOEC value of 20 mg/L has been calculated for the effects of the test substance towards Daphnid. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.08 mg/L. Predicted to be non-toxic at the limit of solubility.
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 long-term aquatic toxicity

of  Alcohols, C12-14 to Daphnid     

Method	Results	Remarks	Reference
QSAR estimate	Daphnid, 30-day, ChV (chronic value) = 0.08 mg/L (ppm)   Daphnid , 48-hr LC50 =   0.446 mg/L (ppm)	Reliable with restrictions, QSAR estimated data	ECOSAR Program (v1.00)

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 0.08 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 NOEC is >LoS.

  

Daphnid, 30-day, ChV (chronic value) = 0.08 mg/L (ppm)

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

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) = 0.08 mg/L (ppm).
A NOEC value of 0.08 mg/L has been calculated for the effects of the test substance on the mortality of the Daphnid. 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 NOEC is >LoS.
A reliable NOEC value of 20 mg/L has been calculated for the effects of the test substance towards Daphnid. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.08 mg/L. Predicted to be non-toxic at the limit of solubility.
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:

ECOSAR QSAR model predicts that NOEC for fresh water species Daphnid cited as ChV (chronic value) would to be 0.08 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 NOEC is >LoS.

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:

long-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

Principles of method if other than guideline:

EPI Suite v 4.0/ECOSARv1.00

GLP compliance:

no

Remarks:

not applicable to QSAR models

Analytical monitoring:

not specified

Vehicle:

not specified

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:

saltwater

Limit test:

no

Total exposure duration:

30 d

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

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:

30 d

Dose descriptor:

NOEC

Effect conc.:

0.03 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:

30 d

Dose descriptor:

NOEC

Effect conc.:

7.5 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

Details on results:

A NOEC value of 0.03 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 NOEC is >LoS.
A reliable NOEC value of 7.5 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 NOEC is 0.03 mg/L. Predicted to be non-toxic at the limit of solubility.

Overview of QSARs estimations on long-term aquatic toxicity of

Alcohols, C12-14

to Mysid shrimp

 

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

 

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

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

 

Validity criteria fulfilled:

yes

Remarks:

US EPA accepted QSAR method for chemicals properties assessment.

Conclusions:

A NOEC value of 0.03 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 NOEC is >LoS.
A reliable NOEC value of 7.5 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 NOEC is 0.03 mg/L. Predicted to be non-toxic at the limit of solubility.

Executive summary:

A NOEC value of 0.03 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 NOEC is >LoS. A reliable NOEC value of 7.5 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 NOEC is 0.03 mg/L. Predicted to be non-toxic at the limit of solubility.

Reference 3

Endpoint:

long-term toxicity to aquatic invertebrates

Type of information:

other: published data

Adequacy of study:

weight of evidence

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: UBA toxicity testing protocol 'Prolonged toxicity test with Daphnia Magna', 01.02.1984

Deviations:

no

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 211 (Daphnia magna Reproduction Test)

Principles of method if other than guideline:

Method: Chronic toxicity testing in Daphnia magna according to UBA toxicity testing protocol 'Prolonged toxicity test with Daphnia Magna', 01.02.1984; determination of the NOEC for reproduction rate, mortality and the moment of the first appearance of descendants.

GLP compliance:

not specified

Analytical monitoring:

yes

Details on sampling:

- Concentrations: At concentrations 0, 10, 30 and 100 mg/L.

Vehicle:

no

Details on test solutions:

PREPARATION AND APPLICATION OF TEST SOLUTION

- Method: test substance was weighed and added directly into test vessels

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM

- Strain/clone: strain is identical with that of BGA.

- Source: own breeding

- Age of parental stock (mean and range, SD): 24 h

- Feeding during test

- Food type: 1 ml algae (1-3 * 10E6 cells/ml) and 1 ml activated sludge

- Frequency: Mon/Wed/Fri


ACCLIMATION

- Acclimation period: 1 day

- Acclimation conditions (same as test or not): not reported

- Health during acclimation (any mortality observed): not reported

Test type:

semi-static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

21 d

Test temperature:

19-23 C

pH:

range: 8.3-8.5

Dissolved oxygen:

range: 90-93%

Nominal and measured concentrations:

Nominal Loading rates: 0, 1, 3, 10, 30 and 100 mg/L.

Details on test conditions:

TEST SYSTEM

- Test vessel: Erlenmeyer flasks

- Material, size, headspace, fill volume: 500 ml flasks, filled with 200 ml test solution

- Aeration: not reported

- Renewal rate of test solution (frequency): Monday/Wednesday/Friday

- No. of organisms per vessel: 5

- No. of vessels per concentration (replicates): 4

- No. of vessels per control (replicates): 4



TEST MEDIUM / WATER PARAMETERS

- Source/preparation of dilution water: aerated tap water

- Culture medium different from test medium: not reported

- Intervals of water quality measurement: temperature, DO and pH were recorded at each water renewal in the control, 3 and 100 mg/L concentrations.


OTHER TEST CONDITIONS

- Adjustment of pH: not reported

- Photoperiod: 16 hours light, 8 hours dark

- Light intensity: Radium 60W


EFFECT PARAMETERS MEASURED (with observation intervals if applicable) : reproduction rate and mortality determined on Mon/Wed/Fri.



RANGE-FINDING STUDY: no range finding study was conducted.

Reference substance (positive control):

no

Duration:

21 d

Dose descriptor:

NOEC

Effect conc.:

0.98 mg/L

Nominal / measured:

nominal

Conc. based on:

act. ingr.

Basis for effect:

other: reproduction rate and mortality

Remarks on result:

other: non-toxic at the limit of solubility

Duration:

21 d

Dose descriptor:

LOEC

Effect conc.:

2.94 mg/L

Nominal / measured:

nominal

Conc. based on:

act. ingr.

Basis for effect:

other: reproduction rate and mortality

Remarks on result:

other: non-toxic at the limit of solubility

Details on results:

- Mortality of parent animals: increased with increasing concentration, see Table 1 for details.

- No. of offspring produced per day per female: not reported

- Body length and weight of parent animals: not reported

- Time to first brood release or time to hatch: the first time of appearance of young was on the 12th day of the study, on the 9th day no young were recorded. Given the spacing of checks, the young would have first appeared on days 9-12.

- Effect concentrations exceeding solubility of substance in test medium: all the concentrations tested were above the limit of solubility 0.0011 mg/L at 25 degC . The NOEC is also determined a a concentration higher than the limit of solubility.

Reported statistics and error estimates:

NOEC was determined via t-test.

Table 1: Effect of octadecanol on growth and survival of D. magna.

Nominal concentration (mg/L)		Mortality of parents (dead or immobile)		Survival rate (average)	Total no. of offspring	Offspring per adult (average)
		No Dead	%	%	#	Mean ± S.D.
Control	Replicate #1	1	475	90	475	106 ± 3.6
	Replicate #2	1	423		423
	Replicate #3	0	512		512
	Replicate #4	0	523		523
1	Replicate #1	2	398	90	398	101 ± 21.5
	Replicate #2	0	434		434
	Replicate #3	0	445		445
	Replicate #4	0	477		477
3	Replicate #1	0	390	70	390	81 ±   17.6
	Replicate #2	1	260		260
	Replicate #3	3	244		244
	Replicate #4	2	310		310
10	Replicate #1	1	256	70	256	56 ± 20.7
	Replicate #2	1	112		112
	Replicate #3	2	203		203
	Replicate #4	2	224		224
30	Replicate #1	1	284	60	284	56 ± 8.6
	Replicate #2	3	219		219
	Replicate #3	2	132		132
	Replicate #4	2	183		183
100	Replicate #1	1	232	55	232	45 ± 12.1
	Replicate #2	2	157		157
	Replicate #3	2	106		106
	Replicate #4	4	34		34

Mean measured (DOC) concentrations in the 10 mg/L group were 0.7, 1.15 and 1.95 mg/L at 0, 48 and 120 hours, respectively. Similar measured  concentrations were obtained in the 30 and 100 mg/L groups. From these measurements together with stable oxygen levels and the test substance being non-volatile the authors conclude that no biodegradation of the test substance did not occurred and therefore the test substance is present in the test medium at concentrations equivalent to the nominal concentration. It is the opinion of the reviewer that the DOC measurements did not vary greatly between increasing concentrations since a large fraction of the test material was not dispersed due to the low water solubility of the test substance.

The results above the limit of solubility should be treated with caution as they may reflect the effects of physical fouling rather than true toxicity of the test substance.

 

Validity criteria fulfilled:

yes

Conclusions:

A 21 NOEC of 0.98 mg/L has been determined for the effects of the test substance on reproduction rate and mortality of D. magna. The result is much higher than the limit of solubility of the test substance and should be treated with caution; the test substance did not appear to be toxic at the limit of solubility. Therefore the NOEC is >0.001 mg/L.

Description of key information

Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) = 0.08 mg/L (ppm).
A NOEC value of 0.08 mg/L has been calculated for the effects of the test substance on the mortality of the Daphnid. 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 NOEC is >LoS.
A reliable NOEC value of 20 mg/L has been calculated for the effects of the test substance towards Daphnid. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.08 mg/L. Predicted to be non-toxic at the limit of solubility.
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.
A 21 NOEC of 0.98 mg/L has been determined for the effects of the test substance on reproduction rate and mortality of D. magna. The result is much higher than the limit of solubility of the test substance and should be treated with caution; the test substance did not appear to be toxic at the limit of solubility. Therefore the NOEC is >0.001 mg/L.
The available data for saltwater aquatic invertebrates 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

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

20 mg/L

Marine water invertebrates

Marine water invertebrates

Effect concentration:

2 mg/L

Additional information

Daphnid, 30-day,NOEC for freshwater species cited as ChV (chronic value) = 0.08 mg/L (ppm).

A NOEC value of 0.08 mg/L has been calculated for the effects of the test substance on the mortality of the Daphnid. 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 NOEC is >LoS.

A reliable NOEC value of 20 mg/L has been calculated for the effects of the test substance towards Daphnid. Therefore the test substance has been predicted to be non toxic at the limit of solubility, so the NOEC is 0.08 mg/L. Predicted to be non-toxic at the limit of solubility.

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.

A 21 NOEC of 0.98 mg/L has been determined for the effects of the test substance on reproduction rate and mortality of D. magna. The result is much higher than the limit of solubility of the test substance and should be treated with caution; the test substance did not appear to be toxic at the limit of solubility. Therefore the NOEC is >0.001 mg/L.

The available data for saltwater aquatic invertebrates 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