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EC number: 221-209-5 | CAS number: 3031-66-1
- 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
LD50 oral rat 140 mg/kg bw. Temperature dependent increase of mortality after 8 hours inhalation exposure. LD50 dermal >2000 mg/kg bw.
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:
- 1973
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: early study report, scientifically acceptable
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Principles of method if other than guideline:
- according to BASF-internal standard
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- other: Gassner
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- Mean body weights for male animals 202 g, for female animals 174 g
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Details on oral exposure:
- The test substance was administered as a 16%, 2% or 1% aqueous solution.
- Doses:
- 50, 100, 125, 160, 200, 1600 µL/kg bw
- No. of animals per sex per dose:
- 5
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 7 days
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight - Sex:
- male/female
- Dose descriptor:
- approximate LD50
- Effect level:
- 140 other: µl/kg
- Based on:
- test mat.
- Mortality:
- 50 and 100 µL/kg bw: no mortalities
125 µL/kg bw: 1/5 males and 0/5 females after 7 days
160 µL/kg bw: 5/5 males and 2/5 females after 7 days
200 µL/kg bw: 4/5 males and 5/5 females after 7 days
1600 µL/kg bw: 5/5 males and 5/5 females after 7 days - Clinical signs:
- other: apathy, dyspnea
- Gross pathology:
- acute heart dilatation, acute congestive hyperemia; liver: loam-grey spotted with blunted margins; kidneys: brightened complexion; stomach: bloody ulcerations, ascites, slight lung edema.
Reference
µL = mg (densitiy 0.996 g/mL)
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 140 mg/kg bw
- Quality of whole database:
- One early study report which is scientifically acceptable and three supporting studies as read-across available are available.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1971
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Non GLP, predated OECD guideline, but scientifically fully acceptable and well documented
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- BASF- Test:acute inhalation toxicity with rats exposed to a saturated atmosphere for max. 8h
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Sex:
- not specified
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- air
- Remarks:
- 200 L/h
- Analytical verification of test atmosphere concentrations:
- no
- Remarks on duration:
- 1 - 8 h
- Concentrations:
- saturated atmosphere
- No. of animals per sex per dose:
- 20°C: 12 for the 8-hour exposure
40°C: 12 for the 1-hour exposure, 6 for the 3-hour exposure and 6 for the 8-hour exposure - Control animals:
- no
- Details on study design:
- The test substance was offered as a vapour at 20°C resp. 40°C.
- Sex:
- not specified
- Dose descriptor:
- other: Lethality
- Based on:
- test mat.
- Exp. duration:
- 1 h
- Remarks on result:
- other: Mortality 0/12 (40°C)
- Sex:
- not specified
- Dose descriptor:
- other: Lethality
- Based on:
- test mat.
- Exp. duration:
- 3 h
- Remarks on result:
- other: Mortality 3/6 (40°C)
- Sex:
- not specified
- Dose descriptor:
- other: Lethality
- Based on:
- test mat.
- Exp. duration:
- 8 h
- Remarks on result:
- other: Mortality 6/6 (40°C)
- Mortality:
- 20°C: no deaths after 8 hours.
40°C: no deaths after 1-hour exposure, 3 animals died after 3-hour exposure and all (6) animals died after 8-hour exposure. - Clinical signs:
- other: Attemption to escape, irritation of the mucous membrane at 20°C. Attemption to escape, irritation of the mucous membrane, dyspnea, apathy, staggering and tremor at 40°C.
- Gross pathology:
- Pulmonary congestion, congestion in the liver, degeneration of the liver, heart dilatation.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- One non GLP, predated OECD guideline study and three supporting studies available.
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- February 13, 2002 until July 08, 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP and guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- testing lab.
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- Young adult animals with a comparable weight were used. The acclimatization period was at least one week.
The animals were housed in fully air-conditioned rooms with central air-conditioning in a range of 20 - 24°C for temperature and of 30 - 70% for relative humidity. The day/night rhythm was 12 hours dark and 12 hours light. The animals were singly housed in stainless steel wire mesh cages.
Animal identification was done by cage cards and tail marking. A standardized animal diet and drinking water were available ad libitum. - Type of coverage:
- semiocclusive
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- Single application to the clipped epidermis (dorsal and dorsolateral parts of the trunk); covering of the application site with a semi-occlusive dressing (the bandage consists of 4 layers absorbent gauze, Ph. Eur. Lohmann GmbH & Co. KG and Fixomull stretch (adhesive fleece), Beiersdorf AG) for 24 hours, afterwards removal of the dressing. Rinsing of the application site with warm water.
Clipping of the fur about 24 hours before the beginning of the study.
Application area: about 40 cm2 - Duration of exposure:
- single application
- Doses:
- 2000 mg/kg
- No. of animals per sex per dose:
- 5
- Control animals:
- no
- Details on study design:
- Body weight determination: Individual body weights shortly before application (day 0), weekly thereafter and at the end of the study .
Signs and symptoms: Recording of signs and symptoms several times on the day of administration, at least once each workday for the individual animals.
Scoring of skin findings: Individual readings 30 - 60 minutes after removal of the semiocclusive dressing (day 1), as a rule weekly thereafter and at the end of the study (last day of the observation period).
Assessment of skin findings: According to Draize, J .H . (1959): Appraisal of the safety of chemicals in foods, drugs and cosmetics. The association of food and drug officials of the United States Austin, Texas.
Mortality: A check for any dead or moribund animal was made twice each workday and once on Saturdays, Sundays and on public holidays.
Pathology: Necropsy with gross-pathology examination on the last day of the observation period after killing with C02. - Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- none
- Clinical signs:
- other: Male animals: No signs of systemic toxicity were observed during clinical examination. Skin effects at the application site comprised well-defined erythema to moderate to severe erythema, erythema extending beyond the area of exposure, slight edema to mod
- Gross pathology:
- No macroscopic pathologic abnormalities were noted in the animals examined at the end of the study, except in the skin of the application site, where few skin lesions with incrusted surface were observed (three male and all female animals).
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- discriminating dose
- Value:
- 2 000 mg/kg bw
- Quality of whole database:
- One GLP and guideline compliant study and two supporting studies as read-across available.
Additional information
Acute toxicity: oral
In the key study performed in rats (BASF 1973) the test item was assessed for acute oral toxicity . The test item was administered by oral gavage in doses of 50, 100, 125, 160, 200, and 1600 µL/kg. The day following exposure all animals of the 1600 µL/kg bw group were dead. Further deaths were noted in the remaining groups. On the 7th day of the observation period 4 male and 5 female rats of the 200 µL/kg group, 5 male and 2 female rats of the 160 µl/kg group and 1 male of the 125 µL/kg group were dead. Based on the results of the study the oral LD50 value for Hex-3 -yne-2,5 -diol was determined to be 140 µL/kg (140 mg/kg bw). In a supporting study (BASF 1971) the test item was assessed for acute oral toxicity in a non-GLP study in rats. The test item was administered by oral gavage in doses of 100, 125, 160, 200, 250, 320, 400, 500 and 640 mg/kg bw. 24 hours after administration of the test item mortalities were noted the 320, 400, 500 and 640 mg/kg bw groups. The observation period lasted for 7 days. At the end of the study 9 male and 10 female rats of the 640 mg/kg bw group, 9 male and 9 female rats of the 500 mg/kg bw group, 6 male and 6 female rats of the 400 mg/kg bw group and 1 male and 6 female of the 320 mg/kg bw dose group were dead. Based on the results the LD50 for acute oral toxicity was determined to be 380 mg/kg bw. In the following supporting studies (BASF 1958/ 1958) LD50 values of 200 µL/kg bw and 90 µL/kg bw were determined in rat respectively in mice.
Acute toxicity: inhalation
In the key study (BASF 1971) three time tests were performed in male and female rats including exposure for 1, 3 and 8 hours to a test item saturated atmosphere. In the 3 hour experiment 3 animals died on day 2 of the observation period. After 8 hour exposure at 40°C all animals (6) died. No mortalities were noted during the 1 hour test. A LC50 value was not reported. In a supporting study (Fraunhofer Gesellschaft 1979) the acute toxicity of the test item was assessed in 10 male and 10 female rats. The animals were exposed to a concentration of 5.5 mg/L (highest technically achievable concentration) for 1 hour. No mortality was observed during testing. The LC50 for the test item was determined to be > 5.5 mg/L. In two other supporting studies (BASF1973/ 1958) rats were exposed for 8 hours to a saturated atmosphere of test item. No mortalities were observed during the course of the studies.
Acute toxicity: dermal
The acute dermal toxicity of the test item was assessed in a study performed in rats according to OECD Guideline 402 (BASF 2002). 5 male and 5 female rats were exposed to a single dose of 2000 mg/kg bw in a semi-occlusive dressing for 24 hours. No mortality was observed during testing. Based on the results obtained from testing the dermal LD50 value of the test item was determined to be >2000 mg/kg bw. In two supporting studies performed in rabbits (BASF 1977/1979) LD50 values of > 200 mg/kg bw were determined. No mortality was observed during testing and the results of the key study were thus confirmed
Acute toxicity: other routes
The acute toxicity of the test item was further assessed in three studies after i.p. injection performed in mice (BASF 1973/1971/1958). The studies revealed LD50 values of 125 mg/kg bw, 90 mg/kg bw and 60 mg/kg bw. Additionally, information on intraveneous injection was available from a study performed in rabbits. The animals were treated with doses of 10, 20, 50, and 100 µL/kg bw. All animals of the 100 µL/kg bw group died during the first day, no other mortalities occured. A LD50 value was not reported. Further, information on acute toxicity after subcutaneous treatment of mice was available. Based on the results obtained from testing a LD50 value of 100 mg/kg bw was determined by interpolation. In the RTEC database a LDLo value of 500 mg/kg bw after i.p. injection in mice was noted.
Justification for selection of acute toxicity – oral endpoint
Only a early study report which is scientifically acceptable is available.
Justification for selection of acute toxicity – inhalation endpoint
Only a non GLP, predated OECD guideline, but scientifically fully acceptable and well documented study available.
Justification for selection of acute toxicity – dermal endpoint
GLP and guideline compliant study.
Justification for classification or non-classification
Based on the available data Hex-3-yn-2,5-diol was classified as R25 “toxic if swallowed” (Directive 67/548/EEC) and Cat. 3/ H301 “toxic if swallowed” (Regulation 1272/2008/EC (CLP)). No classification and labelling are necessary concerning acute dermal and inhalation toxicity.
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