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EC number: 451-160-7 | CAS number: 17913-76-7
- Life Cycle description
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- 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
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Endpoint summary
Administrative data
Description of key information
oral LD50 > 2000 mg/kg bw
inhalation LC50(1 h) > 20 mg/m³ (read-across from 2,4,7,9-Tetramethyl-5-decyne-4,7-diol)
dermal LD50 > 2000 mg/kg bw (read-across from 2,4,7,9-Tetramethyl-5-decyne-4,7-diol)
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25. September 2001 - 15. October 2001
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: according to EC Directive 92/69/EEC and Regulation EC/440/2008 guideline methods under GLP conditions
- 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
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Doses:
- 2000 mg/kg single dose at 0 h
- No. of animals per sex per dose:
- 3 male and
3 female - Control animals:
- no
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The oral LD50 of 2,4,7,9-tetramethyldecane-4,7-diol is >/=2000 mg/kg bw.
- Executive summary:
The oral LD50 value of 2,4,7,9-tetramethyldecane-4,7-diol in rats is greater than 2000 mg/kg body weight.
Three healthy male and three healthy female Wistar albino rats were dosed orally with 2,4,7,9-tetramethyldecane-4,7-diol at 2000 mg/kg. The rats were observed 1, 2, 3, and 4 hours post-dose and once daily for 14 days for mortality, toxicity and pharmacological effects. Body weights were recorded immediately pretest, weekly, at death and at termination in the survivors. All animals were examined for gross pathology. The test article was assigned to be a toxic class based on the mortality response noted.
All animals survived the 2000 mg/kg oral dose.
Body weight changes were normal.
Instances of dyspnea, anogenital area wet, red nasal discharge, and localized alopecia were noted during the observation period.
Necropsy results were normal.
Reference
All animals survived the 2000 mg/kg oral dose.
Bodyweight changes were normal.
Instances of dyspnea, anogenital area wet, chromorhinorrhea and localized alopecia were noted during the observation period.
Necropsy results were normal.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 000 mg/kg bw
- Quality of whole database:
- Study was conducted according to EC Directive 92/69/EEC and Regulation EC/440/2008 guideline methods under GLP conditions.
Klimisch score = 1
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar toxicological properties because
- they are manufactured from similar precursors under similar conditions
- they share structural similarities with common functional groups: both substances start with an acetylene group as core structure, however, in the target substance this acetylene group has been fully hydrogenated during the manufacturing process; geminal hydroxyl groups on the alpha carbon atoms; distal to the geminal hydroxyl groups is an isobutyl group (methyl isopropyl)
- they have similar physicochemical properties and thus, show a similar toxicokinetic behaviour
- they are expected to undergo similar metabolism: oxidation of the terminal methyl groups to result in alcohol, aldehyde and finally the corresponding acid
Since the central acetylene group in the source substance is sterically shielded by the neighbouring functional groups, this structural difference does not lead to major differences in reactivity and/or toxicity, which is demonstrated based on the available toxicological data.
Therefore, read-across from the existing toxicity studies on the source substance is considered as an appropriate adaptation to the standard information requirements of REACH regulation.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
see “Justification for read-across” attached to IUCLID section 13
3. ANALOGUE APPROACH JUSTIFICATION
see “Justification for read-across” attached to IUCLID section 13
4. DATA MATRIX
see “Justification for read-across” attached to IUCLID section 13 - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across: supporting information
- Species:
- rat
- Strain:
- not specified
- Sex:
- male/female
- Route of administration:
- inhalation: aerosol
- Type of inhalation exposure:
- whole body
- Vehicle:
- air
- Duration of exposure:
- ca. 1 h
- Concentrations:
- 20 mg of mist per liter
- No. of animals per sex per dose:
- 5 male and
5 female - Control animals:
- no
- Key result
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- > 20 mg/L air
- Based on:
- act. ingr.
- Exp. duration:
- 1 h
- Remarks on result:
- other:
- Interpretation of results:
- GHS criteria not met
Reference
Ocular and nasal irritation as well as a reduction in spontaneous activity were noted in all animals at the end of the one-hour exposure period. These symptoms disappeared within three hours.
All rats survived the one-hour exposure and the 14 -day observation period (post exposure).
All animals maintained a normal appearance and gained weight over the observation period. No evidence of gross lesions was found in the animals autopsied. Body weight data are presented in the following summary:
Material Sex Initial Final Change
Surfynol 104 M 176 g 288 g + 112 g
- " - F 211 g 239 g + 28 g
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 20 mg/m³ air
- Quality of whole database:
- Test done before GLP and OECD Guidelines were established. This study contains data which are close to meet the criteria set forth in Regulation EC No. 440/2008 for filling REACH endpoints. The data is generated in a reliable laboratory using established protocols.
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar toxicological properties because
- they are manufactured from similar precursors under similar conditions
- they share structural similarities with common functional groups: both substances start with an acetylene group as core structure, however, in the target substance this acetylene group has been fully hydrogenated during the manufacturing process; geminal hydroxyl groups on the alpha carbon atoms; distal to the geminal hydroxyl groups is an isobutyl group (methyl isopropyl)
- they have similar physicochemical properties and thus, show a similar toxicokinetic behaviour
- they are expected to undergo similar metabolism: oxidation of the terminal methyl groups to result in alcohol, aldehyde and finally the corresponding acid
Since the central acetylene group in the source substance is sterically shielded by the neighbouring functional groups, this structural difference does not lead to major differences in reactivity and/or toxicity, which is demonstrated based on the available toxicological data.
Therefore, read-across from the existing toxicity studies on the source substance is considered as an appropriate adaptation to the standard information requirements of REACH regulation.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
see “Justification for read-across” attached to IUCLID section 13
3. ANALOGUE APPROACH JUSTIFICATION
see “Justification for read-across” attached to IUCLID section 13
4. DATA MATRIX
see “Justification for read-across” attached to IUCLID section 13 - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- Deviations:
- no
- GLP compliance:
- yes
- Remarks:
- Statement of GLP Compliance
- Test type:
- fixed dose procedure
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Type of coverage:
- occlusive
- Vehicle:
- propylene glycol
- Duration of exposure:
- 24 hours
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- No mortality occurred during the study period.
- Clinical signs:
- other: No clinical signs of ill health or behaioural changes were observed during study period.
- Gross pathology:
- Macroscopic post mortem examination of the animals at termination did not reveal any significant abnormalities. Pelvic dilatation of the right kidney was noted in one males. Renal pelvic dilation is a common finding in animals of this age and strain and therefore considered not related to treatment.
- Other findings:
- Treated skin abnormalities:
Scales and scabs were observed on the treated skin area among two females between day 4 and 6. - Interpretation of results:
- GHS criteria not met
- Conclusions:
- The dermal LD50 was established as exceeding 2000 mg/kg/ body weight.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 000 mg/kg bw
- Quality of whole database:
- This study contains data which meet the criteria set forth in Regulation EC No. 440/2008 for filling REACH endpoints. The data is generated in a reliable laboratory using established protocols under GLP conditions. Klimisch score = 1.
Additional information
For the assessment of acute toxicity of the target substance 2,4,7,9-tetramethyldecane-4,7-diol an acute oral toxicity study is available. Supporting data are also available for the source substances 2,4,7,9-Tetramethyl-5-decyne-4,7-diol and 2,5,8,11-tetramethyldodec-6-yne-5,8-diol. An acute inhalation toxicity as well as an acute dermal toxicity study is available for the source substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol. Based on the similarly low toxicity after oral administration across this group of substances, the read-across for acute toxicity after inhalation and dermal administration as well as for other toxicological endpoint is supported. The detailed justification for read-across is attached to iuclid section 13.
Acute oral toxicity
The oral LD50 value of 2,4,7,9-tetramethyldecane-4,7-diol in rats is greater than 2000 mg/kg body weight. Three healthy male and three healthy female Wistar albino rats were dosed orally with the test item at 2000 mg/kg. The rats were observed 1, 2, 3, and 4 hours post-dose and once daily for 14 days for mortality, toxicity and pharmacological effects. Body weights were recorded immediately pretest, weekly, at death and at termination in the survivors. All animals were examined for gross pathology. The test article was assigned to be a toxic class based on the mortality response noted. All animals survived the 2000 mg/kg oral dose. Body weight changes were normal. Instances of dyspnea, anogenital area wet, red nasal discharge, and localized alopecia were noted during the observation period. Necropsy results were normal.
The oral administration to rats of 500 mg of the source substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol per kg of body weight resulted in no mortality. All animals survived, showed no abnormal clinical signs and gained weight. Gross necropsy did not reveal any test material-related pathological changes. However, the substance was not tested up to the limit dose of current guidelines. Additional supporting data on the source substance 2,5,8,11-tetramethyldodec-6-yne-5,8-diol demonstrate, that this group of substances is in general of low acute toxicity. The LD50 in rats was determined to be 12.9 g/kg bw.
Acute inhalation toxicity
In an acute inhalation toxicity study young adult rats (strain not specified) (5/sex) were exposed by inhalation route to 2,4,7,9-Tetramethyl-5-decyne-4,7-diol for 1 hour (aerosol; whole body) at a concentrations 20 mg of mist per liter. Animals then were observed for 14 days.
Ocular and nasal irritation as well as a reduction in spontaneous activity were noted in all animals at the end of the one-hour exposure period. These symptoms disappeared within three hours. All rats survived the one-hour exposure and the 14 -day observation period (post exposure). All animals maintained a normal appearance and gained weight over the observation period. No evidence of gross lesions was found in the animals autopsied.
The 1 h LC50 was > 20 mg/L.
Acute dermal toxicity
The purpose of this study was to assess the toxicity of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol when administered to rats as a single dermal dose.
The study was carried out in accordance with OECD Guidline No. 402, "Acute Dermal Toxicity" and EEC Directive 92/96 /EEC, Part B.3, "Acute Toxicity - Dermal". Surfynol 104 was adminestered by dermal application, to five rats of each sex, at 2000 mg/kg body weight. Animals were subjected to daily observations and weekly determination of body weight. Macroscopic examination was performed at the end of the experimental period.
No mortality and no clinical signs of ill health were observed during the study. Skin abnormalities on the treated area included scales and scabs in two females between days 4 and 6. Low body weight gain or body weight loss was noted in all animals over the first week of the study and improved body weight gain over the second week. Macroscopic post mortem examination of the animals at termination did not reveal any significant abnormalities.
The dermal LD50 value of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol in rats of either sex was established as exceeding 2000 mg/kg bw.
Based on the available information, the acute toxicity of 2,4,7,9-tetramethyldecane-4,7-diol is low. There are no data gaps in acute toxicity. Even though there is no information on acute toxicity in humans, there is no reason to believe that the low acute toxicity observed in experimental animals would not be relevant for human health.
Justification for classification or non-classification
According to the UN Globally Harmonized System of Classification and Labelling of Chemicals (GHS) Part 3 Chapter 3.1 no classification required, since this substance doese not cause concern of acute toxicity.
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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