Registration Dossier
Registration Dossier
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EC number: 907-745-9 | CAS number: -
Toxicity to reproduction
Administrative data
- Endpoint:
- toxicity to reproduction
- Remarks:
- other: read-across from two and three generation studies
- 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 groups 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:
- 2 010
Materials and methods
- Principles of method if other than guideline:
- Read-across from experimental data on an analogue.
- GLP compliance:
- no
Test material
- 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.
Constituent 1
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- NOAEL
- Effect level:
- 25 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Remarks on result:
- other: Generation not specified (migrated information)
Overall reproductive toxicity
- Reproductive 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. The 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 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
|
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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)
|
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ENVIRONMENTAL FATE and PATHWAY
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Aerobic Biodegradation
|
Estimated data: Not readily biodegradable
|
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 |
|
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
|
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MAMMALIAN TOXICITY
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Acute Toxicity: Oral |
Experimental data: Key study: LD50 >6000 mg/kg bw (rats)
|
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)
|
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. |
|
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
|
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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
|
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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
|
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
|
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
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|
Applicant's summary and conclusion
- Conclusions:
- Based on experimental data, the read-across approach is applied and the NOAEL for effects on fertility is 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 for effects on fertility is 25 mg/kg bw/day.
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