4-Nonylphenol, branched, ethoxylated

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:

The supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.4

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: Poly (oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched
- Molecular formula: C17 H28 O2
- InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
- Substance type: Organic
- Physical state: Liquid

Vehicle:

no

Test organisms (species):

Daphnia magna

Test type:

static

Water media type:

freshwater

Total exposure duration:

48 h

Hardness:

20 +/- 1 °C

pH:

7.4 - 7.5

Dissolved oxygen:

7.1 - 8.4 mg/L

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

23.066 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mobility

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

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

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alcohol AND Alkane, branched with tertiary carbon AND Alkyl arenes AND Aryl AND Ether by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alcohol AND Alkyl arenes AND Ether AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aliphatic attach [-OH] AND Olefinic carbon [=CH- or =C<] AND Oxygen, aliphatic attach [-O-] AND Oxygen, one aromatic attach [-O-] AND Tertiary Carbon by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Alcohol AND Alkylarylether AND Aromatic compound AND Dialkylether AND Ether AND Hydroxy compound AND Primary alcohol by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Neutral Organics AND Surfactants-Nonionic by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Aliphatic Amines OR Benzodioxoles OR Benzyl Alcohols OR Carbamate Esters OR Esters OR Methacrylates OR Peroxy Acids OR Phenols, Poly by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aliphatic attach [-OH] AND Olefinic carbon [=CH- or =C<] AND Oxygen, aliphatic attach [-O-] AND Oxygen, one aromatic attach [-O-] AND Tertiary Carbon by Organic functional groups (US EPA)

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Alpha-diether [C-O-C-O-C] OR Multi alcohol  by Organic functional groups (US EPA)

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Diethylene Glycol Alkyl Ethers (Less susceptible) No Rank OR Ethyleneglycol alkylethers (Hemolytic anemia) Rank A OR Ethyleneglycol alkylethers (Testicular toxicity) Rank B by Repeated dose (HESS)

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.826

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.38

Validity criteria fulfilled:

not specified

Conclusions:

The Effective concentration (EC50) value for test substance 4-Nonylphenol, branched, ethoxylated on Daphnia magna in a 48 hr. exposure was estimated to be 23.06 mg/L on the basis of effects on mobility.

Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Poly (oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS:127087-87-0). EC50 value was estimated to be 23.06 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.

Based on this value it can be concluded that the Poly (oxy-1, 2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS: 127087-87-0) can be considered as toxic to aquatic invertebrates at environmentally relevant concentrations and can be classified in aquatic chronic category 3 as per the CLP classification criteria.

 

Description of key information

Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Poly (oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS:127087-87-0). EC50 value was estimated to be 23.06 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.

Based on this value it can be concluded that the Poly (oxy-1, 2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS: 127087-87-0) can be considered as toxic to aquatic invertebrates at environmentally relevant concentrations and can be classified in aquatic chronic category 3 as per the CLP classification criteria.

 

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

23.06 mg/L

Additional information

Short term toxicity to aquatic invertebrates for Poly (oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS no127087-87-0) was summaries with one estimated data for target and 3 experimental studies with two read across substances.

Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Poly (oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS:127087-87-0). EC50 value was estimated to be 23.06 mg/L on the basis of mobility for Daphnia magna for 48 hrs duration.

A study was performed on read across chemical Polyethylene glycol nonylphenyl ether (NPE 9) (9016-45-9) was reported. (Environmental toxicology and chemistry, 12pp, 176-199, 1992). Short term toxicity study was conducted on Daphnia magna for 48 hrs in static-renewal exposures with daily replacement of fresh surfactant. 250 ml test vessel was used in which 100 ml of test solutions were taken with 5 daphnia in per replicate and 4 replicates concentrations. Mortality and mobility were observed for 48 hrs. After the experimental period of 48 hrs, the EC 50 value for daphnia magna for Polyethylene glycol nonylphenyl ether (NPE 9) (9016-45-9) was determined to be 14 mg/l based on mortality and mobility effects.

Another read across 4-Nonylphenol, ethoxylated (26027-38-3)(Ecotox database, 2017) for which a short term toxicity to aquatic invertebrates was performed in Daphnia magna for 48 hr using freshwater in static condition. 5 daphnia magna were used having age of <24 hrs. After experiment, the LC 50 value for 4-Nonylphenol, ethoxylated (26027-38-3) was determined to be 18.2 mg/l on the basis of mortality.

From the above same reference and read across 4-Nonylphenol, ethoxylated (26027-38-3) (Ecotox database, 2017) a study was performed in Gammarus pulex (Scud) for 48 hr using freshwater. After experiment the LC 50 value for 4-Nonylphenol, ethoxylated (26027-38-3) for Gammarus pulex (Scud) was determined to be 20.9 mg/l on the basis of mortality.

On the basis of predicted results for toxicity to aquatic invertebrates from target and study from read across, as all the above weight of evidences has supported the classification hence it can be considered that Poly (oxy-1,2-ethanediyl), alpha-(4-nonylphenyl)-omega-hydroxy-, branched (CAS no127087-87-0) was likely to be toxic to aquatic invertebrates at environmentally relevant concentrations and can be considered to classified in aquatic chronic 3 as per the criteria of CLP regulation