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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Description of key information

oral LD50 > 2000 mg/kg bw (read-across from 2,4,7,9-Tetramethyl-5-decyne-4,7-diol and 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8))

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
Reference
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:
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: the substances start with an acetylene group as core structure; geminal hydroxyl groups on the alpha carbon atoms; distal to the geminal hydroxyl groups is an isobutyl group (methyl isopropyl); the target substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) is further functionalised with ethylene oxide and has an ethoxylation degree of 1.3; the source substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) has an ethoxylation degree of 3.8
- 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

Therefore, read-across from the existing toxicity, ecotoxicity, environmental fate and physicochemical studies on the source substances 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 source
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across: supporting information
Species:
rat
Strain:
Sherman
Sex:
male
Route of administration:
oral: gavage
Vehicle:
unchanged (no vehicle)
Doses:
1.0, 2.0, 4.0, 8.0, 16.0 ml/kg
No. of animals per sex per dose:
5 male per dose
Control animals:
no
Key result
Sex:
male
Dose descriptor:
LD50
Effect level:
> 6.5 mL/kg bw
Based on:
test mat.
Key result
Sex:
male
Dose descriptor:
LD50
Effect level:
6 370 mg/kg bw
Based on:
test mat.
Remarks on result:
other: 6.5 mL/kg ~ 6370 mg/kg, rel. density: 0.98
Interpretation of results:
GHS criteria not met
Conclusions:
acute oral LD50 = 6.5 ml/kg
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
2 000 mg/kg bw

Acute toxicity: via inhalation route

Link to relevant study records
Reference
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: the substances start with an acetylene group as core structure; geminal hydroxyl groups on the alpha carbon atoms; distal to the geminal hydroxyl groups is an isobutyl group (methyl isopropyl); the target substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) is further functionalised with ethylene oxide and has an ethoxylation degree of 1.3; the source substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) has an ethoxylation degree of 3.8
- 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

Therefore, read-across from the existing toxicity, ecotoxicity, environmental fate and physicochemical studies on the source substances 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
Duration of exposure:
ca.
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:

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

Interpretation of results:
GHS criteria not met
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LC50
Value:
20 mg/m³ air
Quality of whole database:
Study has been done before the establishment of GLP, but is following the Guide to Precautionary Labeling of Hazardous Chemicals, Seventh Edition - 1970, published by the Manufacturing Chemist´s Association. Klimisch score 2.

Acute toxicity: via dermal route

Link to relevant study records
Reference
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: the substances start with an acetylene group as core structure; geminal hydroxyl groups on the alpha carbon atoms; distal to the geminal hydroxyl groups is an isobutyl group (methyl isopropyl); the target substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) is further functionalised with ethylene oxide and has an ethoxylation degree of 1.3; the source substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) has an ethoxylation degree of 3.8
- 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

Therefore, read-across from the existing toxicity, ecotoxicity, environmental fate and physicochemical studies on the source substances 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
Test type:
fixed dose procedure
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.
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
2 000 mg/kg bw
Quality of whole database:
The key study is GLP compliant and is of high quality, Klimisch score = 1

Additional information

No experimental data are available for the assessment of acute toxicity of the target substance 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3). However, acute oral studies are available for the source substances 2,4,7,9-Tetramethyl-5-decyne-4,7-diol and 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8). 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. A detailed justification for read-across is attached to iuclid section 13.


 


Acute oral toxicity


In an acute toxicity study in accordance with Hazardous Substances and Articles, Administration and Enforcement Regulations, Federal Register, Vol . 38 No. 187, P. 27014, 27 September 1973, Section (c) (2) (i) 5 male Sherman rats per dose level were administered a single dose of 1.0, 2.0, 4.0, 8.0, or 16.0 ml/kg of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, ethoxylated (3.8) by gavage. Animals then were observed for 14 days. At 16 ml/kg bw 5/5 animals died, 3/5 animals died at 8 ml/kg bw, 1/5 animals died at 4 ml/kg bw; no mortalities were noted at 1 and 2 ml/kg bw. The LD50 was determined to be 6370 mg/kg bw (density: 0.98 g/cm³).


 


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 Guideline No. 402, "Acute Dermal Toxicity" and EEC Directive 92/96 /EEC, Part B.3, "Acute Toxicity - Dermal". The substance was administered 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-Tetramethyl-5-decyne-4,7-diol, ethoxylated (1.3) 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 conclude 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 does not cause concern of acute toxicity.