Alcohols, C13-15

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

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 limited documentation / justification

Justification for type of information:

Data is from OECD QSAR toolbox version.3.3 and QMRF report has been attached.

Qualifier:

according to guideline

Guideline:

other: Predicted data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: Alcohols, C13-15
- IUPAC name: Alcohols, C13-15
- Molecular formula:C13H280 + C15H32O
- Molecular weight: 208.78 g/mole
- Substance type: Organic
- Physical state: Liquid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

Daphnia magna

Test type:

static

Water media type:

freshwater

Total exposure duration:

48 h

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

369.843 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: not toxic

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((((((("a" or "b" )  and "c" )  and "d" )  and ("e" and ( not "f") )  )  and ("g" and ( not "h") )  )  and ("i" and ( not "j") )  )  and ("k" and ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and "p" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Long chain alcohols by OECD HPV Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Class 1 (narcosis or baseline toxicity) by Acute aquatic toxicity classification by Verhaar (Modified)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Biodegrades Fast by Biodeg probability (Biowin 7) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as days - weeks by Biodeg primary (Biowin 4) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Neutral Organics by US-EPA New Chemical Categories

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Aliphatic Amines OR Anionic Surfactants OR Ethylene Glycol Ethers OR Nonionic Surfactants OR Not categorized by US-EPA New Chemical Categories

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as (N/A) by Database Affiliation

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Aquatic Japan MoE by Database Affiliation

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as (N/A) by Database Affiliation

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Eye Irritation ECETOC by Database Affiliation

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Aliphatic alcohol  [-OH] AND -CH2-  [linear] AND Linear C4 terminal chain  [CCC-CH3] AND Methyl  [-CH3] by Bioaccumulation - metabolism alerts

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Aromatic fluoride   [-F] by Bioaccumulation - metabolism alerts

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Aliphatic alcohol  [-OH] AND -CH2-  [linear] AND Linear C4 terminal chain  [CCC-CH3] AND Methyl  [-CH3] by Bioaccumulation - metabolism alerts

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as -CH-   [linear] by Bioaccumulation - metabolism alerts

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.345

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of log Kow which is <= 5.76

Conclusions:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to aquatic invertebrate was predicted Alcohols, C13-15 (CAS: 90604-31-2). EC50 Intoxication value was estimated to be 369.843 mg/l for Daphnia magna for 48 hrs duration. It was concluded that Alcohols, C13-15 (CAS: 90604-31-2) was likely to be not toxic to aquatic invertebrate.

Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to aquatic invertebrate was predicted Alcohols, C13-15 (CAS: 90604-31-2). EC50 Intoxication value was estimated to be 369.843 mg/l for Daphnia magna for 48 hrs duration. It was concluded that Alcohols, C13-15 (CAS: 90604-31-2) was likely to be not toxic to aquatic invertebrate.

Description of key information

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to aquatic invertebrate was predicted Alcohols, C13-15 (CAS: 90604-31-2). EC50 Intoxication value was estimated to be 369.843 mg/l for Daphnia magna for 48 hrs duration. It was concluded that Alcohols, C13-15 (CAS: 90604-31-2) was likely to be not toxic to aquatic invertebrate.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

369.843 mg/L

Additional information

Following studies of target chemical and structurally similar read across includes predicted data and experimental data to conclude the toxicity extent of Alcohols, C13-15 (CAS: 90604-31-2) towards aquatic invertebrate is summarized as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to aquatic invertebrate was predicted Alcohols, C13-15 (CAS: 90604-31-2). EC50 Intoxication value was estimated to be 369.843 mg/l for Daphnia magna for 48 hrs duration. It was concluded that Alcohols, C13-15 (CAS: 90604-31-2) was likely to be not toxic to aquatic invertebrate.

The above predicted data of target chemical is supported by the experimental study of structurally similar read across Heptan-1-ol (CAS: 111-70-6) from the publication Aquatic Toxicology 1983, suggests that the Short term toxicity test was carried out of Heptan-1-ol on aquatic invertebrate to stuidy the effects.

Lethal concentration to 50% of Hydra oligactis LC50 value of the Heptan-1-ol was found to be 160 mg/L. It can be concluded fromthe value that the Heptan-1-ol  is not toxic to the aquatic invertebrate and can be considered as "not classified" as per the classification criteria for aquatic environment.

Another supporting experimental study for the structurally similar read across Pentan-1-ol (CAS: 71-41-0) from the publication Zeitschrift für Wasser und Abwasserforschung 1982, also suggests that the Short term toxicity test was carried out to study the effects of Pentan-1-ol on aquatic invertebrate.

Effective concentration to 50% of Daphnia magna when exposed to Pentan-1-ol for 24 h is 423 mg/L. It can be concluded from the value that the Pentan-1-ol is not toxic to the aquatic invertebrateand can be considered as “not classified” as per the classification criteria for aquatic environment.

Thus based on the effect concentrations which is in the range 160 mg/L to423 mg/lgive the conclusion that test substance Alcohols, C13-15 (CAS: 90604-31-2)is likely to be not toxic to aquatic environment at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.