Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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: 257-288-8 | CAS number: 51566-62-2
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
Additional information
No key study is avaliable for the assessment of the toxicokinetics, metabolism and distribution of 3,7-dimethyloct-6-enenitrile.
Based on its physicochemical properties, i.e. small molecular weight, moderate LogPow, and moderate water solubility at room temperature (Log Kow = 3.1; MW=151.24, Water solubility =119 mg/L), 3,7-dimethyloct-6-enenitrile is considered to become readily bioavailable via the dermal and oral route. In acute oral toxicity studies in rats and mice, administration of 3,7-dimethyloct-6-enenitrile resulted in systemic toxicity including mortality and systemic effects have been observed after repeated oral dosing, providing evidence for relevant oral absorption. On the basis of the low vapour pressure at room temperature (Vapour pressure=4.81 Pa), the exposure via inalation of 3,7-dimethyloct-6-enenitrile as a vapour is low.
Two studies reported in literature are available providing information on the metabilization and elimination of 3,7-dimethyloct-6-enenitrile. Kemper and coworkers investigated the metabolic clearance and biotransformation of 3,7-dimethyloct-6-enenitrile in primary hepatocytes from mice, rats, and humans (Kemper 2006). It was concluded that 3,7-dimethyloct-6-enenitrile was rapidly metabolized in hepatocytes from all species (Mouse: T1/2 = 1.28 min, rat = 2.89 min, human = 2.62 - 19.19 min). Furthermore, it was observed that the major common pathways for biotransformation of 3,7-dimethyloct-6-enenitrile involved
1) epoxidation of the 6-alkenyl moiety followed by conjugation with glutathione,
2) hydroxylation of the terminal methyl group(s) followed by direct conjugation with glucuronic acid in rodents or further oxidation to the corresponding acid in human cells, and
3) hydroxylation of the allylic C5 position.
No evidence for either phase I or phase II metabolism of the conjugated nitrile moiety was obtained.
Potter and coworkers investigated the release of inorganic cyanide from 3,7-dimethyloct-6-enenitrile applied dermally to the rat (400 mg/kg bw) for 24 hours (Potter 2001). Athough statistically significant, only a small measurable increase in the total excretion of urinary thiocyanate, i.e. a marker for endogenously formed inorganic cyanide, was observed for both male and female rats. The increase corresponded to a conversion of nitrile to inorganic cyanide of approx. 0.5%.
Based on the data available, an evident potential for bioaccumulation of 3,7-dimethyloct-6-enenitrile is not identified.
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.
