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Toxicological information

Developmental toxicity / teratogenicity

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Administrative data

Endpoint:
developmental toxicity
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
The analogue CAS No. 119-47-1 (6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol) which shares the same functional group (alkylphenol) with the two main constituents of the substance Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol, also has comparable values for the relevant molecular properties. Therefore, the results obtained with the substance CAS No. 119-47-1 can be used for the read-across approach.

Data source

Reference
Reference Type:
other: read-across
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
Read-across from experimental data on an analogue.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Molecular formula (if other than submission substance): C23H32O2
- Molecular weight (if other than submission substance): 340.5
- Smiles notation (if other than submission substance): c1(c(c(cc(c1)C)C(C)(C)C)O)Cc1c(c(cc(c1)C)C(C)(C)C)O
- InChl (if other than submission substance): InChI=1/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
- Structural formula attached as image file (if other than submission substance): see Fig.


Results and discussion

Results: maternal animals

Effect levels (maternal animals)

open allclose all
Dose descriptor:
NOAEL
Effect level:
93.5 mg/kg bw/day (nominal)
Based on:
test mat.
Basis for effect level:
other: maternal toxicity
Dose descriptor:
NOAEL
Effect level:
375 mg/kg bw/day (nominal)
Based on:
test mat.
Basis for effect level:
other: developmental toxicity

Results (fetuses)

Fetal abnormalities

Abnormalities:
not specified

Overall developmental toxicity

Developmental effects observed:
not specified

Any other information on results incl. tables

The analogue CAS No. 119-47-1 (6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol) which shares the same functional group (alkylphenol) with the two main constituents of the substance Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol, also has comparable values for the relevant molecular properties. Therefore, the results obtained with the substance CAS No. 119-47-1 can be used for the read-across approach. There properties are as follows:

  

- a log Pow value which is 4.9 for the Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol and 6.25 for 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol) and

 

- a low water solubility which is 0.4 ± 0.3 mg/L at 20 ºC for the Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol and 0.02mg/L at 25 ºC for 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol)

DATA MATRIX read- across (any other information on results, including tables)

 

CAS Number

 

Source chemical

119-47-1

Target chemical

 

CHEMICAL NAME

 

6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol

 

Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol

PHYSICO-CHEMICAL DATA

 

Melting Point

Experimental results:

118-128 ºC

Experimental results:

-36.3 ºC to -28.2 ºC

 

Boiling Point

No data

Experimental results:

253.9 ºC

 

pKa

No data

No data

 

Partition Coefficient

(log Kow)

Experimental results:

Log Pow = 6.25

Experimental results:

log Pow = 4.9

 

Water solubility

 

Experimental results:

0.02mg/l at 25 ºC

 

Experimental results:

0.4 ± 0.3 mg/l at 20 ºC

Vapour pressure

Estimated data:

2.50E-09 mm Hg at 25 ºC

Experimental results:

310 Pa at 20 °C (2.33 mmHg)

 

ENVIRONMENTAL FATE and PATHWAY

 

Aerobic Biodegradation

 

Estimated and experimental data:

Not readily biodegradable 

 

Experimental results:

Not readily biodegradable 

 

ENVIRONMENTAL TOXICITY

 

Acute Toxicity to Fish

Estimated data: ECOSAR

LC50 (96 h) =0.01mg/l

Experimental data: Key study:

LC50 (96 h)=0.31mg/L

Acute Toxicity to Aquatic Invertebrates

Estimated data: ECOSAR EC50 (48 h) = 0.004 mg/L

Experimental data:

Key study in Daphnia magna:

48h-EC50= 0.4 mg/L

 

Toxicity to Aquatic algae and cyanobacteria

 

Estimated data: ECOSAR

EC50 (96 h) = 0.856 mg/L (Chemical may not be soluble enough to measure this predicted effect).

 

Experimental data: 

Key study:

EC50(72h)=3mg/L

NOEC=1.6 mg/L

 

MAMMALIAN TOXICITY

 

Acute Toxicity: Oral

Experimental data:

Key study: LD50>5000 mg/kg bw (rats)

Experimental data:

Key study: LD50 = 2976 mg/kg bw (rats)

 

Acute Toxicity: Dermal

No data

 

Experimental data:

Key study:

LD50 > 2000 mg/kg bw (rats)

 

Skin and eye irritation.

Skin sensitisation.

No data

 

Experimental data:

Key studies:

Not a skin irritant.

 

Eye damage Category 1

 

Not a skin sensitizer.

Repeated Dose Toxicity

Experimental results: NOAEL from chronic study:12.7 mg/kg bw/day for male rats and 15.1 mg/kg bw/day for female rats

 

No data

 

Genetic Toxicity in vitro

 

Gene mutation in bacteria

No data

No data

Chromosomal aberrations

No data

No data

Gene mutation in mammalian cells

No data

No data

Genetic Toxicity in vivo

 

No data

No data

Carcinogenicity

No data

No data

Toxicity to reproduction

 

Experimental results:

 

 

Developmental toxicity:

The NOAEL for maternal toxicity is 93.5 mg/kg bw/day and the NOAEL for developmental toxicity was 375 mg/kg bw/day (the highest dose tested).

 

Experimental results: Read-across from6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol

 

Developmental toxicity:

The NOAEL for maternal toxicity is 93.5 mg/kg bw/day and the NOAEL for developmental toxicity was 375 mg/kg bw/day (the highest dose tested).

 

Applicant's summary and conclusion

Conclusions:
Based on experimental data, the read-across approach is applied and the NOAEL for maternal toxicity is 93.5 mg/kg bw/day and the NOAEL for developmental toxicity is 375 mg/kg bw/day (the highest dose tested).
Executive summary:

The analogue CAS No. 119-47-1 (6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol) which shares the same functional group (alkylphenol) with the two main constituents of the substance Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol, also has comparable values for the relevant molecular properties. Therefore, the results obtained with the substance CAS No. 119-47-1 can be used for the read-across approach.

Based on experimental data, the read-across approach is applied and the NOAEL for maternal toxicity is 93.5 mg/kg bw/day and the NOAEL for developmental toxicity is 375 mg/kg bw/day (the highest dose tested).