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EC number: 229-782-3 | CAS number: 6731-36-8
- 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
Toxicological Summary
- Administrative data
- Workers - Hazard via inhalation route
- Workers - Hazard via dermal route
- Workers - Hazard for the eyes
- Additional information - workers
- General Population - Hazard via inhalation route
- General Population - Hazard via dermal route
- General Population - Hazard via oral route
- General Population - Hazard for the eyes
- Additional information - General Population
Administrative data
Workers - Hazard via inhalation route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 1.4 mg/m³
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- ECHA REACH Guidance
- Overall assessment factor (AF):
- 12.5
- Dose descriptor starting point:
- NOAEL
- Value:
- 20 mg/kg bw/day
- Modified dose descriptor starting point:
- NOAEC
- Value:
- 17.42 mg/m³
- Explanation for the modification of the dose descriptor starting point:
The NOAEL of 20 mg/kg/day from a 52-week repeat dose oral study with rats was used.
Corrected inhal N(L)OAEC = oral N(L)OAELrat * 1/0.38 * 6.7/10
Corrected inhal N(L)OAEC = 20 * 1/0.38 * 6.7/10 = 35.26
Assuming an oral/inhalation absorption of 0.5, a dose descriptor of 17.42 mg/m3 was derived as the starting point.
For further informatio see: additional information - workers
- AF for dose response relationship:
- 1
- Justification:
- REACH guidance
- AF for differences in duration of exposure:
- 1
- Justification:
- REACH guidance Chronic study
- AF for interspecies differences (allometric scaling):
- 1
- Justification:
- REACH guidance
- AF for other interspecies differences:
- 2.5
- Justification:
- REACH Guidance
- AF for intraspecies differences:
- 5
- Justification:
- REACH Guidance
- AF for the quality of the whole database:
- 1
- Justification:
- REACH Guidance
- AF for remaining uncertainties:
- 1
- Justification:
- REACH Guidance
Acute/short term exposure
- Hazard assessment conclusion:
- no hazard identified
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- no hazard identified
Acute/short term exposure
- Hazard assessment conclusion:
- no hazard identified
DNEL related information
Workers - Hazard via dermal route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 2 mg/kg bw/day
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- ECHA REACH Guidance
- Overall assessment factor (AF):
- 50
- Dose descriptor starting point:
- NOAEL
- Value:
- 20 mg/kg bw/day
- Modified dose descriptor starting point:
- NOAEL
- Value:
- 100 mg/kg bw/day
- Explanation for the modification of the dose descriptor starting point:
The dose descriptor of 20 mg/kg/day was selected from a 52-week repeat dose oral study with rats. Oral absorption rat - oral/dermal absorption human: Assume 20% absorption based on the physical-chemical properties in accordance with Endpoint Specific Guidance Chapter 8 and 7c(R.7.12). The modified dose descriptor starting point is 100 mg/kg bw/d.
For further informatio see: additional information - workers
- AF for dose response relationship:
- 1
- Justification:
- REACH Guidance
- AF for differences in duration of exposure:
- 1
- Justification:
- REACH Guidance 52-week study
- AF for interspecies differences (allometric scaling):
- 4
- Justification:
- REACH Guidance
- AF for other interspecies differences:
- 2.5
- Justification:
- REACH Guidance
- AF for intraspecies differences:
- 5
- Justification:
- REACH Guidance
- AF for the quality of the whole database:
- 1
- Justification:
- REACH Guidance
- AF for remaining uncertainties:
- 1
- Justification:
- REACH Guidance
Acute/short term exposure
- Hazard assessment conclusion:
- no hazard identified
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- no hazard identified
Acute/short term exposure
- Hazard assessment conclusion:
- no hazard identified
Workers - Hazard for the eyes
Local effects
- Hazard assessment conclusion:
- no hazard identified
Additional information - workers
Preliminary DNEL Discussion
CAS# 6731-36-8
Name: di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide
Study: 52 week oral gavage study in rats with dose groups of 4, 20 and 100 mg/kg/day. The NOEL for males was considered to be 4 mg/kg/day and < 4 mg/kg/day for females. However, after evaluating the data in terms of biological significance, degree and severity of the effect as well as considering the data as a whole for a specific parameter, the effects observed at 4 and 20 mg/kg/day were considered to be non-adverse in this 52-week study. These effects included reduced hemoglobin level, hepatic hypertrophy, and presence of foam cells in liver.
NOAEL: males: 20 mg/kg/day
females: 20 mg/kg/day
Molecular Weight: 302.46
Water solubility = 0.4 mg/L (NITE study)
Kow = 6.53 (NITE study)
Vapor Pressure = 0.02 hPa (AN data) at 20 degrees C by Antoine equation
Dermal Absorption: no direct information
Other Information: OPPSD trout preliminary hydrolysis study at pH 2.6
Expect oral absorption to be greater than dermal. Absorption predictor parameter values do not consistently favor oral route, but toxicity was observed by the oral route.
Approximate saturated vapor concentration is ~ 247 mm/m3. Exposure to vapor is possible.
Worker Dermal Systemic DNEL
Modification of starting point
Oral -> dermal when dermal uptake is 20% of oral (Based on molecular weight, water solubility Kow and no acute dermal tox at 1 g/kg Per R.7.C (p 179), it does not appear that a “scientifically defensible database demonstrates that the GI absorption of the chemical in question, from a medium (e.g. water, feed) similar to the one employed in the critical study is significantly less than 100%”, therefore a 50% correction for the oral absorption is not used.
Corrected Dermal NOAEL 20 mg/kg/day/0.20 = 100 mg/kg/day
Assessment Factors:
Allometric 4 rat -> human
Other 2.5
Intraspecies 5 Worker
Duration 1 chronic study
Dose Response 1
Quality of Database 1
Product of assessment factors: 50
Long-term systemic DNELdermal
= humanNOAELdermal / Product of Assessment Factors
Long-term worker systemic DNELdermal =2.0 mg/kg/day
Worker Inhalation Systemic DNEL
Modification of starting point
Inhalation NOAEC from oral NOAEL of 20 mg/kg/day from a 52 -week study
Assume ABSoral-rat/ABSinh-human is 50/100 = 0.5 based on phys-chem properties and Endpoint Specific Guidance chapters 8 and 7c (R.7.12)
Corrected inhalatoary NOAEC from oral NOAEL
Oral NOAEL x (1/sRVrat) x (ABSoral-rat/ABSinh-human) x (sRVhuman/wRV)
[ABS: absorption; sRV: standard Respiratory Volume; wRV: worker Respiratory Volume]
Corrected NOAEC = 20 mg/kg/day x (1/0.38 m3/kg/day) x (0.5) x 6.7 m3/10m3 = 17.42mg/m3
Assessment Factors:
Allometric 1 route-to-route extrapolation used
Other 2.5
Intraspecies 5 Worker
Duration 1 chronic study
Dose Response 1
Quality of Database 1
Product of assessment factors: 12.5
Long-term systemic DNELinhalation
= humanNOAECinhalation / Product of Assessment Factors
Long-term worker systemic DNELinhalation = 1.4 mg/m3/day
General Population - Hazard via inhalation route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
Acute/short term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
Acute/short term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
DNEL related information
General Population - Hazard via dermal route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
Acute/short term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
Acute/short term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
General Population - Hazard via oral route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
Acute/short term exposure
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
DNEL related information
General Population - Hazard for the eyes
Local effects
- Hazard assessment conclusion:
- hazard unknown but no further hazard information necessary as no exposure expected
Additional information - General Population
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.
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