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Diss Factsheets
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EC number: 201-816-1 | CAS number: 88-27-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Developmental toxicity / teratogenicity
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 substance CAS no. 88-27-7 (2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol, 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:
- 2 012
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 414 (Prenatal Developmental Toxicity Study)
- Deviations:
- no
- Principles of method if other than guideline:
- Read-across from published data on an analogue.
- GLP compliance:
- not specified
- Limit test:
- no
Test material
- Reference substance name:
- 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol
- EC Number:
- 204-327-1
- EC Name:
- 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol
- Cas Number:
- 119-47-1
- IUPAC Name:
- 2,2'-methylenebis(6-tert-butyl-4-methylphenol)
- 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.
Constituent 1
Results and discussion
Results: maternal animals
Effect levels (maternal animals)
open allclose all
- Dose descriptor:
- NOAEL
- Effect level:
- 72 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Basis for effect level:
- other: maternal toxicity
- Dose descriptor:
- NOAEL
- Effect level:
- 290 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 substance CAS no. 88-27-7 (2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol, 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.
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 |
119-47-1 |
88-27-7 |
|
CHEMICAL NAME
|
Analogue 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol |
Target chemical 2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol |
|
PHYSICO-CHEMICAL DATA |
|||
Melting Point |
Experimental results: 118-128 ºC |
Experimental results: Handbook: 94 ºC
|
|
Boiling Point |
No data |
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 |
No data |
Experimental results: 1.023 at 20 ºC |
|
Vapour Pressure |
Estimated data: 3.3E-07 Pa at 25 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 = 6.25 |
Estimated data: The calculated partition coefficient is 4.24 (EPI Suite, KOWWIN v1.68 estimate).
|
|
Water solubility
|
Experimental results: 0.02mg/l at 25 ºC |
Experimental results: 10.7 mg/L at 20 ºC (pH 9.2)
|
|
ENVIRONMENTAL FATE and PATHWAY |
|||
Aerobic Biodegradation
|
Estimated and experimental data: Not readily biodegradable
|
Estimated data: No readily biodegradable (BIOWIN v4.10)
|
|
Anaerobic Biodegradation |
No data
|
No data |
|
ENVIRONMENTAL TOXICITY |
|||
Acute Toxicity to Fish |
Experimental data: 96h LC50 > 5 mg/L
Estimated data: ECOSAR LC50 (96 h) = 0.01 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 data: 48h EC50 > 4.8 mg/L 48h EC50 > 0.010 mg/L
21 d NOEC > 0.0057 mg/L 21 d NOEC = 0.34 mg/L
Estimated data: ECOSAR LC50 (48 h) = 0.004 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
|
Experimental data: 72h-EC50 > 4.5 mg/L (growth rate) 72h-NOEC = 0.51 mg/L (growth rate)
Estimated data: ECOSAR EC50 (96 h) = 0.856 mg/L (Chemical may not be soluble enough to measure this predicted effect). |
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 data: Key study: LD50>5000 mg/kg bw (rats)
|
Experimental results: LD50 = 461 mg/kg
|
|
Acute Inhalation |
No data
|
No data |
|
Acute Dermal |
No data
|
Experimental results: LD50 > 4000 mg/kg
|
|
Skin irritation / Eye irritation |
No data |
Experimental results: Not a skin irritant. Eye irritant.
|
|
Skin sensitisation |
No data |
Experimental results: Skin sensitiser
|
|
Repeated Dose |
Experimental results: NOAEL from chronic study: 12.7 mg/kg bw/day (male rats) 15.1 mg/kg bw/day (female rats) |
No data |
|
Genetic Toxicity in vitro
|
Gene mutation in bacteria
|
Experimental results: Negative |
No data |
Chromosomal aberration
|
Experimental results: Negative |
No data
|
|
Mammalian gene mutation
|
No data |
No data |
|
Genetic Toxicity in vivo
|
No data
|
No data |
|
Carcinogenicity
|
No data |
No data |
|
Reproductive Toxicity: developmental toxicity |
Experimental results: Developmental toxicity: NOAEL maternal toxicity = 93.5 mg/kg bw/day NOAEL developmental toxicity = 375 mg/kg bw/day (highest dose tested). |
Developmental toxicity: Read-across: NOAEL maternal toxicity = 72 mg/kg bw/day NOAEL developmental toxicity = 290 mg/kg bw/day (highest dose tested). |
Applicant's summary and conclusion
- Conclusions:
- The NOAEL for maternal toxicity is 72 mg/kg bw/day and the NOAEL for developmental toxicity was 290 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 substance CAS no. 88-27-7 (2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol, 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.
The NOAEL for maternal toxicity is 72 mg/kg bw/day and the NOAEL for developmental toxicity was 290 mg/kg bw/day (the highest dose tested).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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