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EC number: 203-380-8 | CAS number: 106-27-4
- 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
Endpoint summary
Administrative data
Description of key information
The test item is considered to have a low acute toxicity by the oral and dermal route. In rats, the LD50 value via the oral route is > 5000 mg/kg bw (value derived from the read-across compound isoamyl isovalerate). In consideration of the molecular weight of the source and target substances (172.27 and 158.24 g/mol), the corrected LD50 for the target substance is > 4592.8 mg/kg bw. Furthermore, a supporting oral toxicity study with the test substance isoamyl butyrate supports this result (LD50 value >5000 mg/kg bw). Mortality after dermal exposure to the test item is not expected as a supporting acute dermal toxicity study as well as the in vivo acute oral toxicity study (value derived from read-across compound isoamyl isovalerate) showed no effects up to 5000 mg/kg bw and 4592.8 mg/kg bw, respectively. For this reason, a further acute dermal toxicity study will be waived.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- The read-across justification is included as an attachment in IUCLID section 13.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- other: 3-methylbutyl isovalerate
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In an acute oral toxicity study the LD50 for the source substance 3 -methylbutyl isovalerate was >5000 mg/kg bw in rats. In consideration of the molecular weight of both substances (172.27 and 158.24 g/mol), the corrected LD50 for the target substance is > 4592.8 mg/kg. Therefore, using a read-across approach, the target substance was not classified according to CLP classification.
- Executive summary:
The acute oral toxicity of the target substance was predicted from the source substance (see read-across justification). In an acute oral toxicity study the LD50 for the source substance was >5000 mg/kg bw in rats. In consideration of the molecular weight of both substances (172.27 and 158.24 g/mol), the corrected LD50 for the target substance is > 4592.8 mg/kg bw. Therefore, using a read-across approach, the target substance was not classified according to CLP classification.
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016-03-16 to 2016-07-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 423 (Acute Oral toxicity - Acute Toxic Class Method)
- Deviations:
- no
- GLP compliance:
- yes
- Test type:
- acute toxic class method
- Limit test:
- yes
- Species:
- rat
- Strain:
- Sprague-Dawley
- Remarks:
- Crl:CD (SD), SPF
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Females (if applicable) nulliparous and non-pregnant: yes
- Age at study initiation: 8 weeks old
- Weight at study initiation: 176.3 - 195.3 g
- Fasting period before study:animals were fasted overnight, approximately 16 hours prior to dosing
- Housing:cage in an animal room
- Diet: ad libitum
- Water: ad libitum
- Acclimation period: for four days after three days of quarantine (including health examiniation)
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 21.5 - 24.0 °C (measured), permissible range 19 - 25 °C
- Humidity (%): 43.5 - 58.5% (measured) permissible range 30 - 70 %
- Air changes (per hr): 10-15 clean, fresh, filterd air changes per hour
- Photoperiod (hrs dark / hrs light): 12 hours light/12 hours dark - Route of administration:
- oral: gavage
- Vehicle:
- corn oil
- Details on oral exposure:
- VEHICLE
- Concentration in vehicle: 500 mg/mL
- Lot/batch no. (if required): MKBS6944V
MAXIMUM DOSE VOLUME APPLIED: 10 mL/kg
CLASS METHOD (if applicable)
- Rationale for the selection of the starting dose: due to the low expected toxicity of the test substance a starting dose of 5,000 mg/kg was selected. - Doses:
- Step 1: starting dose of 5,000 mg/kg test substance was administered to one animal
Step 2: two animals were administered the test substance at 5,000 mg/kg, becasue there was no dead animal at 5,000 mg/kg (step 1) - No. of animals per sex per dose:
- Step 1: 1 animal
Step 2: 2 animals - Control animals:
- no
- Details on study design:
- - Duration of observation period following administration:14 days
- Frequency of observations and weighing: observations for mortality, clinical signs, general conditions at 30 minutes after dosing and at 1, 2, 4, 6 hours after dosing on day 0 and once daily thereafter for 14 days; body weight was recorded prior to dosing on day 0 and on day 1, 3, 7, and on day of necropsy, day 14
- Necropsy of survivors performed: yes
- Other examinations performed: no histopathology, since no gross findings were obsereved at necropsy. - Statistics:
- Statistical analysis was not performed. Mean scores and values are determined.
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- All animals at 5,000 mg/kg survived the duration of the study. There were no effects on the mortality. Refer to Table 1.
- Clinical signs:
- other: Mucous stool was observed in one animal at 5,000 mg/kg on Day 1 after dosing and it disappeared on Day 2 after dosing. Therefore, it was considered to be a test substance-related temporary change. Refer to table 2.
- Gross pathology:
- No gross visible evidence of morphological abnormalities was observed in any animal at 5,000 mg/kg.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the result of the acute oral toxicity study in Sprague-dawley rats, the test substance has an LD50 value >5000 mg/kg bw. Therefore, it was not classified according to CLP.
- Executive summary:
The purpose of this study was to assess the potential toxicity of the test substance following a single oral dose administration to female Sprague-Dawley rats and to classify the test substance under GHS classification.
Two dose groups were designed as Steps 1 and 2 at 5,000 mg/kg. Step 1 consisted of one female and Step 2 consisted of two females. All animals were monitored for clinical signs and body weight changes during the 14-day observation period after administration. They were subjected to gross necropsy at the end of the observation period.
There were no deaths of animals at 5,000 mg/kg. Mucous stool was observed in an animal on Day 1 after dosing and it disappeared on Day 2 after dosing. A tendency to suppress body weight gain was observed in animals on Day 1 after dosing. Then, these animals returned to normal on Day 3. No test substance-related effects were observed in necropsy findings in any animal.
Based on the result of the acute oral toxicity study in Sprague-Dawley rats, the test substance was not classified according to the GHS classification and the median lethal dose derived was: LD50 cut off> 5,000 mg/kg b.w.
Referenceopen allclose all
Table 1: Summary of Mortality
Step / Dose (mg/kg) | No. of animals | Days after dosing | Mortality | ||||||||||||||
0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | |||
Step 1/ 5,000 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0/1 |
Step 2/ 5,000 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0/2 |
Table 2: Individual Clinical Signs
Step / Dose (mg/kg) | Animal ID | Clinical sign | Hours (Day 0) after dosing | ||||
0.5 | 1 | 2 | 4 | 6 | |||
Step 1/ 5,000 | 2101 |
| - | - | - | - | - |
Step 2/ 5,000 | 2201 |
| - | - | - | - | - |
2202 |
| - | - | - | - | - |
Step / Dose (mg/kg) | Animal ID | Clinical sign | Days after dosing | ||||||||||||||
| 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | ||
Step 1/ 5,000 | 2101 |
| - | - | - | - | - | - | - | - | - | - | - | - | - | - | - |
Step 2/ 5,000 | 2201 |
| - | - | - | - | - | - | - | - | - | - | - | - | - | - | - |
| 2202 | Mucous stool | - | + | - | - | - | - | - | - | - | - | - | - | - | - | - |
-: No observable abnormality
+: Observable abnormality
Table 3. Individual Body Weights
Step/Dose (mg/kg) | Animal ID | Days after dosing | Gain 0 ~ 14 | ||||
0 | 1 | 3 | 7 | 14 | |||
|
|
|
|
|
|
|
|
Step 1 5,000 | 2101 | 176.3 | 185.9 | 202.0 | 212.9 | 234.9 | 58.6 |
Step 2 5,000 | 2201 | 184.6 | 193.8 | 213.4 | 223.8 | 227.5 | 42.9 |
2202 | 195.3 | 198.9 | 214.1 | 228.6 | 235.5 | 40.2 | |
| Mean | 190.0 | 196.4 | 213.8 | 226.2 | 231.5 | 41.6 |
S.D. | 7.6 | 3.6 | 0.5 | 3.4 | 5.7 | 1.9 | |
N | 2 | 2 | 2 | 2 | 2 | 2 |
Table 4. Individual Body Weights during an Acclimation Period
Animal ID | Temporary Animal ID | Receipt | Group assignment |
2101 | 2002 | 170.9 | 198.0 |
2201 2202 | 2001 | 174.3 | 192.5 |
2004 | 180.4 | 204.4 | |
2003 | 183.9 | 211.3 | |
| Mean | 177.4 | 201.6 |
S.D. | 5.9 | 8.1 | |
N | 4 | 4 |
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 4 592.8 mg/kg bw
- Quality of whole database:
- The key study was assigned reliability 1: reliable without restrictions. However, these data have been scored as reliability 2: reliable with restrictions when used for read across to the target test substance. The supporting study, based on the test substance, has been identified as reliability 4, due to the limited available data.
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 1976-08-02
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- GLP compliance:
- not specified
- Limit test:
- yes
- Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Doses:
- 5000 mg/kg body weight
- No. of animals per sex per dose:
- 10 animals (no sex specified)
- Control animals:
- not specified
- Details on study design:
- Duration of observation period following administration: 14 days (not clear if only one administration)
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- 0/10
- Clinical signs:
- other: diarrhea in 2
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the result of the acute dermal toxicity study in rabbits, the test substance has a LD50 value > 5000 mg/kg bw. Therefore, it was not classified according to CLP.
- Executive summary:
In an acute dermal toxicity study in rabbits, it was found that the LD50 (rabbits) value >5000 mg/kg bw. Therefore, the test substance was not classified under CLP.
- Endpoint:
- acute toxicity: dermal
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance does not meet the criteria for classification as acute toxicity or STOT SE by the oral route and no systemic effects have been observed in in vivo studies with dermal exposure (e.g. skin irritation, skin sensitisation)
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
An in vivo acute dermal toxicity study is available which showed no acute effects up to 5000 mg/kg bw. Although the study is poorly documented, it can be assumed that no mortality after dermal exposure is to be expected from the test item. Furthermore, an in vivo acute oral toxicity study showed no effects up to 5000 mg/kg bw, supporting this conclusion.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 000 mg/kg bw
- Quality of whole database:
- The supporting study, based on the test substance, has been identified as reliability 4, due to the limited available data.
Additional information
Acute oral toxicity, key study (read-across)
The acute oral toxicity of the target substance isoamyl butyrate was predicted from the source substance isoamyl isovalerate. The purpose of the acute oral toxicity study with isoamyl isovalerate was to assess the potential toxicity of the test substance following a single oral dose administration to female Sprague-Dawley rats and to classify the test substance under GHS classification. Two dose groups were designed as Steps 1 and 2 at 5,000 mg/kg. Step 1 consisted of one female and Step 2 consisted of two females. All animals were monitored for clinical signs and body weight changes during the 14-day observation period after administration. They were subjected to gross necropsy at the end of the observation period. There were no deaths of animals at 5,000 mg/kg. Mucous stool was observed in an animal on Day 1 after dosing and it disappeared on Day 2 after dosing. A tendency to suppress body weight gain was observed in animals on Day 1 after dosing. Then, these animals returned to normal on Day 3. No test substance-related effects were observed in necropsy findings in any animal. Based on the result of the acute oral toxicity study in Sprague-Dawley rats, the test substance was not classified according to the GHS classification and the median lethal dose derived was: LD50 cut off> 5,000 mg/kg b.w. In the supporting acute oral and dermal toxicity studies using the test substance, in rats as well as in rabbit, an LD50 of >5000 mg/kg bw was determined.
Acute oral toxicity, supporting study
In a supporting study, with limited details, rats were orally administered 5000 mg/kg bw of the test substance isoamyl butyrate. An LD50 of >5000 mg/kg bw was identified; therefore, the test substance was not classified under CLP.
Acute dermal toxicity, supporting study
In an acute dermal toxicity study in rabbits, it was found that the LD50 (rabbits) value was >5000 mg/kg bw for the test substance isoamyl butyrate. Therefore, the test substance was not classified under CLP.
Justification for classification or non-classification
Based on the available data, the substance does not require classification for acute oral and dermal toxicity, according to Regulation (EC) No 1272/2008, as amended for fifteenth time in Regulation (EU) No 2020/1182.
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