Registration Dossier
Registration Dossier
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EC number: 907-745-9 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Weight of evidence: Read-across approach from an analogue.
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.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- 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.
- Principles of method if other than guideline:
- Read-across approach from data on an analogue.
- GLP compliance:
- no
- Dose descriptor:
- NOAEL
- Effect level:
- 25 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Critical effects observed:
- not specified
- 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.
Reference
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
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Source chemical 128-37-0 |
Target chemical
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CHEMICAL NAME
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2,6-di-tert-butyl-4-methylphenol |
Reaction mass of 2,6-di-tert-butylphenol and 2,4,6-tri-tert-butylphenol |
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PHYSICO-CHEMICAL DATA
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Melting Point |
Experimental results: 69.8 - 71 ºC |
Experimental results: -36.3 ºC to -28.2 ºC
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Boiling Point |
Experimental results: 265 ºC |
Experimental results: 253.9 ºC
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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
|
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Partition Coefficient (log Kow) |
Experimental results: Log Pow = 5.2 |
Experimental results: log Pow = 4.9
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Water solubility
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Experimental results: 0.4 -0.6 mg/l at 20-25 ºC
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Experimental results: 0.4 ± 0.3 mg/l at 20 ºC |
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Vapour pressure |
Experimental data: 3.82 Pa at 24.85 ºC |
Experimental results: 310 Pa at 20 ºC (2.33 mm Hg)
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ENVIRONMENTAL FATE and PATHWAY
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Aerobic Biodegradation
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Estimated data: Not readily biodegradable
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Experimental results: Not readily biodegradable
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ENVIRONMENTAL TOXICITY
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Acute Toxicity to Fish |
Estimated data: ECOSAR LC50 (96 h) = 0.2 mg/l |
Experimental data: Key study: LC50 (96 h)=0.31mg/L |
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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
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Toxicity to Aquatic algae and cyanobacteria
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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
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MAMMALIAN TOXICITY
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Acute Toxicity: Oral |
Experimental data: Key study: LD50 >6000 mg/kg bw (rats)
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Experimental data: Key study: LD50 = 2976 mg/kg bw (rats)
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Acute Toxicity: Dermal |
Experimental data: Key study: LD50 > 2000 mg/kg bw (rats)
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Experimental data: Key study: LD50 > 2000 mg/kg bw (rats)
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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. |
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Repeated Dose Toxicity |
Experimental results: Weight of evidence: NOAEL from chronic study: 25 mg/kg bw/day
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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
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Genetic Toxicity in vitro
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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
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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
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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
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Genetic Toxicity in vivo
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Experimental results: Weight of evidence: Negative |
Experimental results: Weight of evidence: Read-across from 2,6-di-tert-butyl-4-methylphenol (BHT) Negative
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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.
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Toxicity to reproduction
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Experimental results: Weight of evidence:
Effects on fertility: The NOAEL was 25 mg/kg bw/day in the rat.
Developmental toxicity: No data
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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
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Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- NOAEL
- 25 mg/kg bw/day
- Study duration:
- chronic
- Species:
- rat
- Quality of whole database:
- Weight of evidence: Read-across approach from an analogue.
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Weight of evidence: Read-across approach from an analogue.
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.
Justification for classification or non-classification
Based on the available data, the substance is not classified for repeated dose toxicity.
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