3-diethylaminophenol

Endpoint summary

Description of key information

The substance 3-diethylaminophenol was found to be toxic by oral but not by inhalation or dermal route

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: Estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 2.3

GLP compliance:

no

Test type:

standard acute method

Species:

other: Peromyscus maniculatus

Strain:

not specified

Sex:

not specified

Route of administration:

oral: unspecified

Vehicle:

not specified

Control animals:

not specified

Sex:

not specified

Dose descriptor:

LD50

Effect level:

1 200.949 mg/kg bw

Based on:

test mat.

Mortality:

Lethal dose , 50 percent kill

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

(("a" and ("b" and ( not "c") ) ) and ("d" and "e" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(O)cc(N(CC)CC)ccc1
Threshold=50%,
Dice(Atom pairs;Topologic torsions;Atom centered fragments;Path;Cycles)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Carbamates OR MA: Direct acylation involving a leaving group OR Mechanistic Domain: Acylation by Protein binding by OASIS

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.49

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.6

Interpretation of results:

Toxicity Category IV

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The acute oral median lethal dose (LD50) of 3-diethylaminophenol in Peromyscus maniculatus was estimated to be 1200.949 mg/kg of body weight.

Executive summary:

The acute oral median lethal dose (LD50) of 3-diethylaminophenol in Peromyscus maniculatus was estimated to be 1200.949 mg/kg of body weight.This value indicates that 3-diethylaminophenol exhibits acute toxicity by the oral route in the Category 4.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed

Dose descriptor:

LD50

Value:

1 200.949 mg/kg bw

Quality of whole database:

K2 data from QSAR model considered reliable by OECD

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 2.3

GLP compliance:

no

Test type:

other: Acute Rodent Inhalation Toxicity Test

Species:

rat

Strain:

Wistar

Sex:

not specified

Route of administration:

inhalation

Type of inhalation exposure:

nose only

Remarks:

Vapor

Vehicle:

not specified

Sex:

not specified

Dose descriptor:

LC50

Effect level:

34.522 other: mg/l

Based on:

test mat.

Exp. duration:

4 h

The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

((("a" and ("b" and ( not "c") ) ) and "d" ) and ("e" and "f" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(O)cc(N(CC)CC)ccc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Isocyanates OR MA: Isocyanates and Related Chemicals OR Mechanistic Domain: Acylation by Protein binding by OECD

Domain logical expression index: "d"

Similarity boundary:Target: c1(O)cc(N(CC)CC)ccc1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.15

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.77

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The 4hrs acute inhalation median lethal concentration (LC50) of 3-diethylaminophenol in Rat(Wistar) was estimated to be 34.52156 mg/l .This value indicates that 3-diethylaminophenol does not exhibits acute toxicity by the inhalation route.

Executive summary:

The 4hrs acute inhalation median lethal concentration (LC50) of 3-diethylaminophenol in Rat(Wistar) was estimated to be 34.52156 mg/l .This value indicates that 3-diethylaminophenol does not exhibits acute toxicity by the inhalation route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LC50

Value:

34.522 mg/m³ air

Quality of whole database:

K2 data from QSAR model considered reliable by OECD

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Qualifier:

according to guideline

Guideline:

other: Federal Hazardous Substances Act (FH S A) as published in the Federal Register of August 12, 1961 pages 7333-7341, entitled, "Part 19 1 - Hazardous Substances: Definitions and Procedural and Interpretative Regulations, Final Order.

Principles of method if other than guideline:

Data is from publication

GLP compliance:

not specified

Limit test:

no

Species:

rabbit

Strain:

other: Albino

Sex:

male

Type of coverage:

open

Vehicle:

not specified

Details on dermal exposure:

The substance resorcinol was applied on the abraded skin and intact skin of rabbit

Duration of exposure:

24 hrs

Doses:

0, 1, 2, 3.98, 7.95 g/kg (0, 1000, 2000,3980,7950 mg/kg)

No. of animals per sex per dose:

no data

Control animals:

yes

Sex:

male

Dose descriptor:

LD50

Effect level:

3 360 other: mg/kg

Based on:

test mat.

95% CL:

1 980 - 5 710

Mortality:

Mortality was observed during the 14 days observation period

Clinical signs:

other: The material produced necrosis of the skin in all of the rabbits exposed to the 7.95 and the 3.98 gm/ kg dosage levels, and in three of the four rabbits exposed to the 2.00 gm/ kg dosage level. The rabbits exposed to 1 .OO gm/ kg showed (only slight hyper

Gross pathology:

No internal gross lesions were observed upon autopsy off the sacrificed animals.

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The acute dermal LD50 value of resorcinol in albino rabbit during the 14 days observation period was found to be 3360 mg/kg

Executive summary:

The acute dermal LD50 value of resorcinol in albino rabbit during the 14 days observation period was found to be 3360 mg/kg. Thus according to the CLP criteria of aquatic classification it can be concluded that the substance resorcinol is not toxic via dermal route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

3 360 mg/kg bw

Quality of whole database:

K2 data from the journal of American Industrial Hygiene Association

Additional information

Acute Toxicity : Oral :

Based on studies of target substance CAS NO 91-68-9 and read across reviewed for acute oral toxicity from reliable sources having Klimisch rating 2 and 4 considering the weight of evidence approach.

 

The summary of the results are presented below

Sr. No	End point	Value	Species	Remark
1	LD50	1200.949 mg/kgbw	Peromyscus maniculatus	Predicted data of target chemical
2	LD50	370 mg/kgbw	Rat	Data from publication CAS NO 108-43-6
3	LD50	980 mg/kgbw	Rat	Data from publication CAS NO 108-43-6

 Based on above table, endpoint value was found to vary between 370 mg/kg bw to 1200.949 mg/kg bw which are much higher values. Since the LD50 for target chemical is greater than 2000 mg/kg bw/d which was the criteria for classification towards acute toxicity, thus from this it is concluded that the substance3-diethylaminophenolexhibits acute toxicity by the oral route in category 4.

Acute Toxicity : Inhalation :

Based on studies of target substance CAS NO 91-68-9 and read across alpha reviewed for acute inhalation toxicity from reliable sources having Klimisch rating 2 considering weight of evidence approach

 

The summary of the results are presented below

 

Sr. No	End point	Value	Species	Remark
1	LC50	34.52156 mg/l	Rat	Predicted data for target chemical
2	LC50	7800 mg/m³ air	rat	Data from publication for CAS:108-43-6
3	LC50	>2800 mg/m³ air	rat	Data from publication for CAS:108-43-6

Based on the values summarized in above table, it was found that the LC50 values vary between 2800 mg/L to 7800 mg/m³ air and 34.52156 mg/l. From this it is concluded that the3-diethyl aminophenoldoes not exhibits acute toxicity by the inhalation route.

Acute toxicity dermal:

The acute dermal LD50 value of read across substance resorcinol in albino rabbit during the 14 days observation period was found to be 3360 mg/kg. Based on this value it can be conclued that 3-diethylaminophenol will have the similar toxicological properties of read across substances and considered to be not toxic substance via dermal route.

Justification for selection of acute toxicity – oral endpoint

The acute oral median lethal dose (LD50) of 3-diethylaminophenol in Peromyscus maniculatus was estimated to be 1200.949 mg/kg of body weight.This value indicates that 3-diethylaminophenol exhibits acute toxicity by the oral route in the Category 4.

Justification for selection of acute toxicity – inhalation endpoint

The 4hrs acute inhalation median lethal concentration (LC50) of 3-diethylaminophenol in Rat(Wistar) was estimated to be 34.52156 mg/l .This value indicates that 3-diethylaminophenol does not exhibits acute toxicity by the inhalation route.

Justification for selection of acute toxicity – dermal endpoint

The acute dermal LD50 value of read across substance resorcinol in albino rabbit during the 14 days observation period was found to be 3360 mg/kg. Based on this value it can be conclued that 3-diethylaminophenol will have the similar toxicological properties of read across substances and considered to be not toxic substance via dermal route.

Justification for classification or non-classification

The substance 3-diethylaminophenol was found to be toxic by oral route in category 4 but toxicity effect has not been observed via inhalation or dermal route

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