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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Toxicological information

Repeated dose toxicity: oral

Currently viewing:

Administrative data

Endpoint:
repeated dose toxicity: oral
Remarks:
other: read-across from several repeated dose toxicity studies, including chronic data
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
The analogue CAS No. 128-37-0 (BHT) 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. 128 -37-0 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 approach from data on an analogue.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
2,6-di-tert-butyl-p-cresol
EC Number:
204-881-4
EC Name:
2,6-di-tert-butyl-p-cresol
Cas Number:
128-37-0
IUPAC Name:
2,6-di-tert-butyl-4-methylphenol
Details on test material:
- Molecular formula (if other than submission substance): C15H24O
- Molecular weight (if other than submission substance): 220.35
- Smiles notation (if other than submission substance): Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
- InChl (if other than submission substance): InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
- Structural formula attached as image file (if other than submission substance): see Fig.

Results and discussion

Effect levels

Dose descriptor:
NOAEL
Effect level:
25 mg/kg bw/day (nominal)
Based on:
test mat.
Sex:
male/female

Target system / organ toxicity

Critical effects observed:
not specified

Any other information on results incl. tables

The analogue CAS No. 128-37-0 (BHT) 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. 128 -37-0 can be used for the read-across approach.

  

- 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 5.2 for 2,6-di-tert-butyl-4-methylphenol (BHT) 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 0.4-0.6 mg/L at 20-25 ºC for 2,6-di-tert-butyl-4-methylphenol (BHT)

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

CAS Number

 

Source chemical

128-37-0

Target chemical

 

CHEMICAL NAME

 

2,6-di-tert-butyl-4-methylphenol

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

PHYSICO-CHEMICAL DATA

 

Melting Point

Experimental results:

69.8 - 71 ºC

Experimental results:

-36.3 ºC to -28.2 ºC

 

Boiling Point

Experimental results:

265 ºC

Experimental results:

253.9 ºC

 

pKa

Experimental results:

pKa = 12.2

Experimental results:

Read-across from

2,6-di-tert-butylphenol:

pKa = 11.7 at 25 ºC

 

Read-across from

2,4,6-tri-tert-butylphenol:

pKa = 12.2 at 25 ºC

 

Partition Coefficient

(log Kow)

Experimental results:

Log Pow = 5.2

Experimental results:

log Pow = 4.9

 

Water solubility

 

Experimental results:

0.4 -0.6 mg/l at 20-25 ºC

 

Experimental results:

0.4 ± 0.3 mg/l at 20 ºC

Vapour pressure

Experimental data:

3.82 Pa at 24.85 ºC

Experimental results:

310 Pa at 20 ºC (2.33 mm Hg)

 

ENVIRONMENTAL FATE and PATHWAY

 

Aerobic Biodegradation

 

Estimated data:

Not readily biodegradable 

 

Experimental results:

Not readily biodegradable 

 

ENVIRONMENTAL TOXICITY

 

Acute Toxicity to Fish

Estimated data: ECOSAR

LC50 (96 h) = 0.2 mg/l

Experimental data: Key study:

LC50 (96 h)=0.31mg/L

Acute Toxicity to Aquatic Invertebrates

Experimental data:

EC50 (48 h) =0.48mg/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) = 0.76 mg/L

Experimental data: 

Key study:

EC50 (72 H) = 3 mg/L

NOEC = 1.6 mg/L

 

 

MAMMALIAN TOXICITY

 

Acute Toxicity: Oral

Experimental data:

Key study: LD50 >6000 mg/kg bw (rats)

 

Experimental data:

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

 

 

 

Acute Toxicity: Dermal

Experimental data:

Key study:

LD50 > 2000 mg/kg bw (rats)

 

Experimental data:

Key study:

LD50 > 2000 mg/kg bw (rats)

 

Skin and eye irritation.

Skin sensitisation.

Experimental data:

Key study:

Not a skin irritant.

 

Not an eye irritant.

 

Not a skin sensitizer.

 

Experimental data:

Key studies:

Not a skin irritant.

 

Eye damage Category 1

 

Not a skin sensitizer.

Repeated Dose Toxicity

Experimental results: Weight of evidence:

NOAEL from chronic study: 25 mg/kg bw/day

 

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

NOAEL from chronic study: 25 mg/kg bw/day

 

Genetic Toxicity in vitro

 

Gene mutation in bacteria

Experimental results: Weight of evidence:

Negative

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

Negative

 

Chromosomal aberrations

Experimental results: Weight of evidence:

Negative

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

Negative

 

Gene mutation in mammalian cells

Experimental results: Weight of evidence:

Negative

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

Negative

 

Genetic Toxicity in vivo

 

Experimental results: Weight of evidence:

Negative

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

Negative

 

Carcinogenicity

Experimental results: Weight of evidence:

Not classified as carcinogenic.

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

Not classified as carcinogenic.

 

Toxicity to reproduction

 

Experimental results: Weight of evidence:

 

Effects on fertility: 

The NOAEL was 25 mg/kg bw/day in the rat.

 

Developmental toxicity:

No data

 

Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT)

Effects on fertility:

The NOAEL was 25 mg/kg bw/day in the rat.

 

Developmental toxicity: 

No data

 

Applicant's summary and conclusion

Conclusions:
Based on experimental data, the read-across approach is applied and the NOAEL is considered to be 25 mg/kg bw/day.
Executive summary:

The analogue CAS No. 128-37-0 (BHT) 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. 128 -37-0 can be used for the read-across approach.

Based on experimental data, the read-across approach is applied and the NOAEL is considered to be 25 mg/kg bw/day.