2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride

Endpoint summary

Description of key information

Acute oral toxicity: 

In Acute oral toxicity,LD50 value for target substance 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) was considered to be 31 mg/kg bw and 25 mg/kg bw in males and females rats respectively and 18 mg/kg bw in rats in another experimental study. All these studies concluded that the LD50 value is between 5-50 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) can be classified as “Category II” for acute oral toxicity.

Acute Inhalation Toxicity: 

1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) has very low vapour pressure (1.42e-011Pa= 1.06509e-13 mmHg).So the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore the acute inhalation toxicity end point was considered for waiver.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

data is from peer-reviewed journal

Qualifier:

according to guideline

Guideline:

OECD Guideline 401 (Acute Oral Toxicity)

Principles of method if other than guideline:

Acute Oral toxicity test was carried out to study the effects of 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) on rats.

GLP compliance:

not specified

Test type:

other: no data available

Limit test:

no

Specific details on test material used for the study:

- Name of test material (as cited in study report):C.I. Basic Red 12
- Molecular formula :C25H29N2.Cl
- Molecular weight :392.971 g/mol
- Substance type:organic
- Physical state:No data
- Purity :>98%
- Impurities (identity and concentrations):<2% (The purified test samples contained water and such inert ingredients as sodium chloride, sodium sulphate. etc.)

Species:

rat

Strain:

not specified

Sex:

male/female

Details on test animals or test system and environmental conditions:

No data available

Route of administration:

oral: unspecified

Vehicle:

not specified

Details on oral exposure:

No data available

Doses:

25 mg/kg bw and 31 mg/kg bw

No. of animals per sex per dose:

No data available

Control animals:

not specified

Details on study design:

Details on study design
- Duration of observation period following administration: 14 days

Statistics:

No data available

Preliminary study:

No data available

Sex:

female

Dose descriptor:

LD50

Effect level:

25 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality was observed at dose 25 mg/kg bw

Sex:

male

Dose descriptor:

LD50

Effect level:

31 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality was observed at dose 31 mg/kg bw

Mortality:

50% mortality was observed at dose 25 mg/kg bw and 31 mg/kg bw

Clinical signs:

other: No data available

Gross pathology:

No data available

Other findings:

No data available

Interpretation of results:

Category 2 based on GHS criteria

Conclusions:

The lethal concentration (LD50) value for acute oral toxicity test was considered to be 25 mg/kg bw in female rats and 31 mg/kg bw in male rats ,when rats were treated with 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) orally according to OECD Guideline 401 (Acute Oral toxicity).

Executive summary:

Acute oral toxicity study was performed in rats using test material 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride(6320-14-5).50% mortality was observed at dose 25 and 31 mg/kg bw. Hence,LD50 value was considered to be 25 mg/kg bw in female rats and 31 mg/kg bw in male rats,when rats were treated with 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride(6320-14-5) orally according to OECD Guideline 401 (Acute Oral toxicity).

Endpoint conclusion

Endpoint conclusion:

adverse effect observed

Dose descriptor:

LD50

Value:

31 mg/kg bw

Quality of whole database:

Data is Klimisch 2 and from peer-reviewed journal

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

other justification

Justification for data waiving:

other:

Endpoint conclusion

Quality of whole database:

Waiver

Acute toxicity: via dermal route

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Acute Oral Toxicity: 

In different studies, 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) has been investigated for acute oral toxicity to a greater or lesser extent. Often the studies are based on in vivo experimental data in rodents, i.e. most commonly in rats for 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) .The studies are summarized as below –

In experimental study conducted by R Anliker et. al. (Journal of the Society of Dyers and Colourists, Volume 104 May/June 1988,223-225) and Chittaradan Desai (Ecological and toxicological properties of dyestuffs, Chittaradan Desai,Colourage,December 1992,page No. 51-54) for the target substance 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5). Acute oral toxicity study was performed in rats using test material 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride(6320-14-5).50% mortality was observed at dose 25 and 31 mg/kg bw. Hence,LD50 value was considered to be 25 mg/kg bw in female rats and 31 mg/kg bw in male rats,when rats were treated with 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride(6320-14-5) orally according to OECD Guideline 401 (Acute Oral toxicity).

Also these results are further supported by the experimental study conducted by U.S. National Library of Medicine (Chemidplus Database,U.S. National Library of Medicine,2017) andRTECS(RTECS (registry of toxic effect of chemical substance database ), 2018) for thetarget substance 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5). Acute oral toxicity study was performed in rats using test material 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride(6320-14-5).50% mortality was observed at dose 18 mg/kg bw. Hence,LD50 value was considered to be 18 mg/kg bw,when rats were treated with 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride(6320-14-5) orally.

 

Thus, based on the above studies on target substance 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5), it can be concluded that LD50 value is between 5-50 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) can be classified as “Category II” for acute oral toxicity.

Acute Inhalation Toxicity: 

1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) has very low vapour pressure (1.42e-011Pa= 1.06509e-13 mmHg).So the potential for the generation of inhalable vapours is very low. Also the normal conditions of use of this substance will not result in aerosols, particles or droplets of an inhalable size, so exposure to humans via the inhalatory route will be highly unlikely and therefore the acute inhalation toxicity end point was considered for waiver.

Justification for classification or non-classification

Based on the above experimental studies on 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5), it can be concluded that LD50 value is between 5-50 mg/kg bw for acute oral toxicity. Thus, comparing this value with the criteria of CLP regulation, 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride (6320-14-5) can be classified as “Category II” for acute oral toxicity.For Acute inhalation toxicity wavier was added so, not possible to classify.