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EC number: 201-816-1 | CAS number: 88-27-7
Endpoint summary
Administrative data
Description of key information
The study with the longest duration and lowest NOAEL was chosen as key study (read-across approach).
Klimisch 2. Read-across approach.
The analogue CAS No. 128-37-0 (BHT) which shares the same functional group (alkylphenol) with the substance CAS no. 88-27-7 (2,6-di-tert-butyl-α-dimethylamino-p-cresol), 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.
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 substance CAS no. 88-27-7 (2,6-di-tert-butyl-α-dimethylamino-p-cresol), 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:
- 30 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 30 mg/kg bw/day.
- Executive summary:
The analogue CAS No. 128-37-0 (BHT) which shares the same functional group (alkylphenol) with the substance CAS no. 88-27-7 (2,6-di-tert-butyl-α-dimethylamino-p-cresol), 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 30 mg/kg bw/day.
Reference
The analogue CAS No. 128-37-0 (BHT) which shares the same functional group (alkylphenol) with the substance CAS no. 88-27-7 (2,6-di-tert-butyl-α-dimethylamino-p-cresol), 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.
As indicated in the European Chemical Agency Practical Guide 6 “How to report read –across and categories”, the structural grouping was realized using “OECD QSAR APPLICATION TOOL BOX” (see attachment).
Table 1: Data Matrix, Analogue Approach
CAS Number
|
128-37-0 |
88-27-7 |
|
CHEMICAL NAME
|
Analogue 2,6-di-tert-butyl-4-methylphenol
|
Target chemical 2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol |
|
PHYSICO-CHEMICAL DATA |
|||
Melting Point |
Experimental results: 69.8 - 71 ºC |
Experimental results: Handbook: 94 ºC |
|
Boiling Point |
Experimental results: 265 ºC |
Weight of evidence: Handbook: 179 ºC (40 mm Hg) Estimated data: Boiling point EPISUITE = 336.78 ºC (Adapted Stein & Brown method) (MPBPWIN v1.43) |
|
Density |
Experimental results: 1.048 at 20 ºC |
Experimental results: 1.023 at 20 ºC |
|
Vapour Pressure |
Experimental results: 3.82 Pa at 24.85 ºC |
Estimated data: Vapour pressure EPISUITE = 1.69E-005 mm Hg at 25 ºC (Modified Grain method) (MPBPWIN v1.43) 0.00226 Pa at 25 ºC (Modified Grain method) (MPBPWIN v1.43) |
|
Partition Coefficient (log Kow) |
Experimental results: Log Pow = 5.2 |
Estimated data: The calculated partition coefficient is 4.24 (EPI Suite, KOWWIN v1.68 estimate). |
|
Water solubility
|
Experimental results: 0.4 -0.6 mg/l at 20-25 ºC |
Experimental results: 10.7 mg/L at 20 ºC (pH 9.2) |
|
ENVIRONMENTAL FATE and PATHWAY |
|||
Aerobic Biodegradation
|
Estimated data: Not readily biodegradable
|
Estimated data: No readily biodegradable (BIOWIN v4.10)
|
|
Anaerobic Biodegradation |
No data |
No data |
|
ENVIRONMENTAL TOXICITY |
|||
Acute Toxicity to Fish |
Estimated data: ECOSAR LC50 (96 h) = 0.2 mg/l |
Key study: Estimated data: 96-h LC50 for fish is 1.346 mg/l (ECOSAR v1.00a, phenol amines class). 96-h LC50 for fish is 2.092 mg/l (ECOSAR v1.00a, aliphatic amines class). 96-h LC50 for fish is 0.907 mg/l (ECOSAR v1.00a, phenols class).
|
|
Acute Toxicity to Aquatic Invertebrates
|
Experimental results: EC50 (48 h) =mg/L |
Key study: Estimated data: 48-h LC50 for Daphnia is 0.659 mg/l (ECOSAR v1.00a, phenol amines class) 48-h LC50 for Daphnia is 0.335 mg/l (ECOSAR v1.00a, aliphatic amines class) 48-h LC50 for Daphnia is 0.746 mg/l (ECOSAR v1.00a, phenols class)
|
|
Toxicity to Aquatic Plants
|
Estimated data: ECOSAR EC50 (96 h) = 0.76 mg/L |
Key study: Estimated data: 96-h EC50 for green algae is 0.644 mg/l (ECOSAR v1.00a, phenol amines class). 96-h EC50 for green algae is 0.297 mg/l (ECOSAR v1.00a, aliphatic amines class). 96-h EC50 for green algae is 2.760 mg/l (ECOSAR v1.00a, phenols class).
|
|
MAMMALIAN TOXICITY |
|||
Acute Oral |
Experimental results: LD50 >6000 mg/kg bw (rats)
|
Experimental results: LD50 = 461 mg/kg
|
|
Acute Inhalation
|
No data |
No data |
|
Acute Dermal |
Experimental results: LD50 >2000 mg/kg bw (rats)
|
Experimental results: LD50 > 4000 mg/kg
|
|
Skin irritation / Eye irritation |
No data |
Experimental results: Not a skin irritant. Eye irritant.
|
|
Skin sensitisation |
Experimental results: Weight of evidence: Not a skin sensitizer.
|
Experimental results: Skin sensitiser. |
|
Repeated Dose |
Experimental results: Weight of evidence: NOAEL from chronic study: 25 mg/kg bw/day
|
Read-across: NOAEL from chronic study: 30 mg/kg bw/day
|
|
Genetic Toxicity in vitro
|
Gene mutation in bacteria
|
Experimental results: Negative |
Read-across: Negative |
Chromosomal aberration
|
Experimental results: Weight of evidence: Negative |
Read-across: Negative
|
|
Mammalian gene mutation
|
Experimental results: Weight of evidence: Negative |
Read-across: Negative |
|
Genetic Toxicity in vivo
|
Experimental results: Weight of evidence: Negative |
Read-across: Negative |
|
Carcinogenicity
|
Experimental results: Weight of evidence: Not classified as carcinogenic. |
No data |
|
Reproductive Toxicity: developmental toxicity |
Experimental results: Weight of evidence:
Effects on fertility: NOAEL: 25 mg/kg bw/day in the rat.
Developmental toxicity: No data |
Read-across: Effects on fertility: NOAEL: 30 mg/kg bw/day in the rat.
Developmental toxicity: No data
|
|
Endpoint conclusion
- Dose descriptor:
- NOAEL
- 30 mg/kg bw/day
- Study duration:
- chronic
- Species:
- rat
- Quality of whole database:
- Klimisch 2. Read-across approach.
The analogue CAS No. 128-37-0 (BHT) which shares the same functional group (alkylphenol) with the substance CAS no. 88-27-7 (2,6-di-tert-butyl-α-dimethylamino-p-cresol), 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.
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
The study with the longest duration and lowest NOAEL was chosen as key study (read-across approach).
Justification for classification or non-classification
Based on the available data, the substance is not classified for repeated dose toxicity.
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