4-chloro-N-methylpiperidine

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

ECOSAR estimates log Kow values using the US EPA's KOWWIN Program for aquatic toxicity.Toxicity of a chemical was measured on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program based upon the octanol /water partition coefficient (Kow). Data from ECOSAR class,neutral organics was used.

The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. The intended application domain of EPI Suite is organic chemicals, and inorganic as well as organometallic chemicals generally can be considered outside the domain.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: 4-chloro-1-methylpiperidine
- Molecular formula: C6H12ClN
- Molecular weight: 133.621 g/mol
- Smiles notation: N1(CCC(CC1)Cl)C
- InChl: 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
- Substance type: Organic
- Physical state: Liquid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

Daphnia magna

Test type:

not specified

Water media type:

not specified

Total exposure duration:

48 h

Reference substance (positive control):

not specified

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

142.902 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: Neutral Organics, Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to Daphnid (aquatic invertebrates) was predicted to be 142.902 mg/l for 4-chloro-1-methylpiperidine in 48 hrs.

Executive summary:

Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to aquatic invertebrates was predicted to be 142.902 mg/l for 4-chloro-1-methylpiperidine in 48 hrs.

Based on this lethal value, it can be concluded that the test chemical 4-chloro-1-methylpiperidine (Cas no. 5570-77-4) was considered to be non toxic to aquatic invertebrates and thus 4-chloro-1-methylpiperidine was considered to not classified as per the CLP regulations.

Description of key information

The median effective concentration (EC50) for the test substance,4-chloro-1-methylpiperidine, in Daphnia magna was determined to be 206.1mg/L on the basis of mobiity inhibition effects in a 48 hour study.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

206.1 mg/L

Additional information

The experimental key study of target substance 4-chloro-1-methylpiperidine (CAS no. 5570-77-4) and supporting studies including predicted data from validated tools for target and experimental data from authoritative database for structurally similar substance which is close to target are summarised for short term aquatic invertebrate’s endpoint as follows:

In a key study done by SSS, determination of the inhibition of the mobility of daphnids was carried out with the substance 4-chloro-1-methylpiperidine according to OECD Guideline 202. The test substance was tested at the concentrations 5, 10, 20, 40, 80 and 160 mg/L. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, 4-chloro-1-methylpiperidine, in Daphnia magna was determined to be 206.1 mg/L for immobilisation effects. This value indicates that the substance is likely to be non-hazardous to aquatic invertebrates and can be considered as Not classified as per the CLP criteria.

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic invertebrates was predicted for 4-chloro-1-methylpiperidine(CAS no. 5570-77-4) and the Effect concentration i.e EC50 value was estimated to be 168.51 mg/l for Daphnia magna for 48 hrs duration.

Similarly prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to aquatic invertebrates was predicted to be 142.902 mg/l for 4-chloro-1-methylpiperidine in 48 hrs.  

Above both predicted results of target assist by experimental result of read across chemical1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea (CAS no. 34014-18-1) authoritative database i.e ECOTOX database indicate Short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <10 h age. Test in fresh water media with static condition. During the experiment, the EC50 value for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea (Cas no. 34014 -18 -1)was determined to be 297 mg/l on the basis of mobility. 

Again from ECOTOX database for another read across 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione (Hexazinone) (CAS no. 51235-04-2) indicate Short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 d age. Test in fresh water media with static condition and test condition maintain as 22 deg. test temp.,7.4 pH and 8.6 mg/l dissolved oxygen. During the experiment, the LC50 value for 3-cyclohexyl-6-dimethylamino-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione (Hexazinone) (CAS no. 51235 -04 -2)was determined to be 152 mg/l on the basis of mortality.

Same data source (ECOTOX database) for one another read across chemical Fats and Glyceridicoils, tobacco seed (CAS no. 8037-19-2) indicate Short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 h age. Test in fresh water media with static condition. During the experiment, the EC50 value for Fats and Glyceridicoils, tobacco seed (CAS no. 8037-19-2) was determined to be 169 mg/l on the basis of mobility.

Thus based on the value from experimental key study gives the conclusion that test substance 4-chloro-1-methylpiperidine (CAS No. 5570-77-4) is likely to be non toxic to aquatic invertebrates, hence it can be considered to be not classified as per the CLP regulation for short term toxicity to aquatic invertebrate.