Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 203-344-1 | CAS number: 105-90-8
- 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
Endpoint summary
Administrative data
Description of key information
Acute oral toxicity:
LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.
Acute Dermal toxicity:
LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.
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:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from Publication.
- Qualifier:
- according to guideline
- Guideline:
- other: as metioned below
- Principles of method if other than guideline:
- Acute oral toxicity of 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in rat.
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: 3,7-dimethylocta-2,6-dien-1-yl propanoate
- Common Name: Geranyl propionate
- Mol. formula: C13H22O2
- Molecular Weight: 210.3148 g/mol
- Smiles: CCC(=O)OC\C=C(/C)\CCC=C(C)C
- InChI: 1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+ - Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Details on oral exposure:
- not specified
- Doses:
- 5000 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No mortality was observed
- Mortality:
- No mortality was observed in treated rat at 5000 mg/kg bw
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.
- Executive summary:
Acute oral toxicity study was conducted by using 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in rats at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 000 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2
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:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from Publication
- Qualifier:
- according to guideline
- Guideline:
- other: as metioned below
- Principles of method if other than guideline:
- Acute dermal toxicity of 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in Rabbit.
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: 3,7-dimethylocta-2,6-dien-1-yl propanoate
- Common Name: Geranyl propionate
- Mol. formula: C13H22O2
- Molecular Weight: 210.3148 g/mol
- Smiles: CCC(=O)OC\C=C(/C)\CCC=C(C)C
- InChI: 1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+ - Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- other: Dermal
- Vehicle:
- not specified
- Details on dermal exposure:
- not specified
- Duration of exposure:
- not specified
- Doses:
- 5000 mg/kg bw
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No mortality was observed
- Mortality:
- No mortality was observed in the treated rabbits at 5000 mg/kg bw
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.
- Executive summary:
Acute Dermal toxicity study was conducted by using 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in rabbits at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 000 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2
Additional information
Acute oral toxicity:
In different studies, 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rats and mice for 3,7-dimethylocta-2,6-dien-1-yl propanoate along with the study available on structurally similar read across substance Geranyl butyrate (CAS no 106-29-6) and 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In the experimental study done by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 897, 1974), the Acute oral toxicity study was conducted in rats at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.
Further study as a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3,7-dimethylocta-2,6-dien-1-yl propanoate (105 -90 -8). The LD50 was estimated to be 2817 mg/kg bw, when 10 Sprague-Dawley male and female rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate by oral gavage route.
In another study based on the QSAR prediction done using the Danish (Q)SAR Database (2017), the acute oral toxicity was estimated for the 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8). The LD50 was estimated to be 6400 mg/kg bw with Reliability Index 0.89 (>0.75 = high prediction quality), when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.
This is supported with the study based on the QSAR prediction done using the Danish (Q)SAR Database (2017), the acute oral toxicity was estimated for the 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8). The LD50 was estimated to be 4000 mg/kg bw with Reliability Index 0.65 (0.5-0.75 = moderate prediction quality), when Mouse was treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.
The above study supported by Jenner et al. (Fd Cosmet. Toxicol Vol. 2 pp. 327-343, 1964), for the structurally similar read across substance Geranyl butyrate (CAS no 106-29-6). In a acute oral toxicity study, 10 Osborne-Mendel male and female rats were treated wtih Geranyl butyrate orally by gavage and observed for 14 days. Animals were died after 4 days of dose administration. Marked signs of depression and coma observed on higher dose value. Based on the observation acute lethal dose were calculated as 10660 mg/kg bw with the 95% confidence limit of 8020-14,180 mg/kg. Therefore, LD50 was considered to be 10660 mg/kg bw (8020-14180 mg/kg) when Osborne-Mendel male and female rats were treated with Geranyl butyrate orally by gavage.
This is further supported by D. L. J. Opdyke (Food Cosmet. Toxicol, Vol. 13. pp. 449-457.1975), for the structurally similar read across substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). In a acute oral toxicity study, rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rat at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate orally.
Thus, based on the above studies on 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-dimethylocta-2,6-dien-1-yl propanoate can be classified as category V of acute oral toxicity.
Acute Dermal toxicity:
In different studies, 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for 3,7-dimethylocta-2,6-dien-1-yl propanoate along with the study available on structurally similar read across substance Geranyl butyrate (CAS no 106-29-6) and 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In the experimental study done by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 897, 1974), the Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.
Further study as a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 3,7-dimethylocta-2,6-dien-1-yl propanoate (105 -90 -8). The LD50 was estimated to be 2707 mg/kg bw, when New Zealand White rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate by dermal application.
This is further supported by D. L. J. Opdyke (Food Cosmet. Toxicol, Vol. 13. pp. 449-457.1975), for the structurally similar read across substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). In a acute dermal toxicity study, rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rabbits at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate dermally.
The above study supported by D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 12, Issues 7–8, December 1974, Page 889), for thestructurally similar read across substance Geranyl butyrate (CAS no 106-29-6). In a acute dermal toxicity study, rabbits were treated with Geranyl butyrate dermally. 50% mortality was observed in treated rabbits. Therefore, LD50 was considered to be 5000 mg/kg bw when rabbits were treated with Geranyl butyrate dermally.
Thus, based on the above studies on 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-dimethylocta-2,6-dien-1-yl propanoate can be classified as category V of acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) and its read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-dimethylocta-2,6-dien-1-yl propanoate can be classified as category V of acute oral and dermal 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.