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EC number: 701-133-3
CAS number: -
Oral: based on a weight of evidence approach, no hazard was identified since all available data showed LD50 values > 2000 mg/kg bw.Inhalation: no study availableDermal (OECD 402), rat: LD50 > 2000 mg/kg bw/day (based on read-across from CAS 3687-46-5)
Justification for grouping of substances and read-across
There are no data available on the acute toxicity of isononyl
isononanoate. In order to fulfil the standard information requirements
set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of
Regulation (EC) No 1907/2006, read-across from structurally related
substances was conducted.
In accordance with Article 13 (1) of Regulation (EC) No 1907/2006,
"information on intrinsic properties of substances may be generated by
means other than tests, provided that the conditions set out in Annex XI
are met.” In particular for human toxicity, information shall be
generated whenever possible by means other than vertebrate animal tests,
which includes the use of information from structurally related
substances (grouping or read-across).
Having regard to the general rules for grouping of substances and
read-across approach laid down in Annex XI, Item 1.5, of Regulation (EC)
No 1907/2006 whereby substances may be predicted as similar provided
that their physicochemical, toxicological and ecotoxicological
properties are likely to be similar or follow a regular pattern as a
result of structural similarity.
Overview of acute toxicity
Acute toxicity oral
Acute toxicity inhalation
Acute toxicity dermal
(previously 42131-25-9) (a)
WoE:RA: CAS 10233-13-3RA: CAS 59219-71-5RA: CAS 111937-03-2
RA: CAS 3687-46-5
Experimental result:LD50 >5000 mg/kg bw
Experimental resultLC50 >5.3 mg/L air (analytical)
3,5,5-trimethylhexyl 3,5,5 -trimethylhexanoate
Experimental result:LD50 >4350 mg/kg bw
Isononanoic acid, C16-18 alkyl esters
Experimental result:LD50 >5000 mg/kg bw, (mouse)LD50 >17010 mg/kg bw (rat)
Experimental result:LD50 >2000 mg/kg bw, mouse
Experimental result:LD50 >2000 mg/kg bw)
(a) The substance subject to registration is indicated in bold
(b) Reference (read-across) substances are indicated in normal
font. Lack of data for a given endpoint is indicated by “--“.
The above mentioned substances are considered to be similar on the basis
of the structural similar properties and/or activities. The available
endpoint information is used to predict the same endpoints for isononyl
A detailed analogue approach justification is provided in the technical
dossier (see IUCLID Section 13).
Acute oral toxicity
An acute oral toxicity study (limit test) with isopropyl laurate (CAS
10233-13-3) was performed according a protocol similar to OECD 401
(Dufour, 1991). A group of 5 female NMRI EOPS mice received single oral
doses of 5000 mg/kg bw. No mortalities were observed during the 6-day
study period. No signs of clinical toxicity were reported. The animals
showed the expected gain in body weight. The acute oral LD50 in mice was
considered to be > 5000 mg/kg bw.
The acute oral toxicity of 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
(CAS 59219-71-5) was assessed an study performed according a protocol
similar to OECD 401 (Masson, 1986). 5 female NMRI EOPS mice were
administered 5 mL/kg bw test substance by gavage. Limited data was given
and no individual results were reported. There was no mortality and no
clinical signs were observed. The acute oral LD50 was set at > 5 mL/kg
bw, equivalent to 4350 mg/kg bw (based on the density 0.87 g/cm3).
In a study comparable to OECD 401, 5 female mice were administered
5000 mg/kg bw isononanoic acid, C16-18 alkyl esters (CAS 111937-03-2)
(Dufour, 1991). No mortality occurred. No clinical signs were observed
and the body weight was not affected during the 7-day observation
period. No necropsy examinations were performed at sacrifice. The acute
oral LD50 was considered to be > 5000 mg/kg bw.
In a study performed by Potokar (1970), 10 male rats/dose were
administered 10 mL/kg bw isononanoic acid, C16-18 alkyl esters as a 50%
solution of the test substance in olive oil and 19.9 mL/kg bw of the
undiluted test substance (equivalent to 8.55 and 17.01 g/kg bw,
respectively). No mortality occurred, and no clinical signs were
reported during the 7-day observation period. Based on the limited data
available, the acute oral LD50 was considered to be > 17.01 g/kg bw.
Acute inhalation toxicity
This information is not available.
Acute dermal toxicity
An acute dermal toxicity study (limit test) was performed with decyl
oleate (CAS 3687-46-5) according to OECD guideline 402 (Beerens-Heijnen,
2010). 2000 mg/kg bw of the test substance was applied to the skin of 5
Wistar rats/sex/dose under an occlusive dressing for 24 hours. No
mortality occurred. Piloerection and/ or chromodacryorrhea were noted in
all males on Day 1 and/or 2. No clinical signs were noted in females.
The body weight increases were within the range expected for rats used
in this type of study and no treatment-related findings were reported
during the necropsy and histopathological examination. Erythema was
observed on the treated skin for up to 4 days during the first week in
3/5 females. Scales or scabs were noted on the treated skin area in 5/5
females and 3/5 males for up to 9 days during Day 7-15 of the
observation period. The acute dermal LD50 is considered to be > 2000
Conclusions for acute toxicity
No acute toxicity data is available for isononyl isononanoate.
Therefore, assessment of acute toxicity via the oral and dermal route is
conducted by means of read-across. No mortality was observed in acute
oral toxicity studies performed with the analogue substances isopropyl
laurate (CAS 10233-13-3), 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
(CAS 59219-71-5) and isononanoic acid, C16-18 alkyl esters (CAS
111937-03-2) (Dufour, 1991; Dufour, 1991; Masson, 1986; Potokar; 1970).
Based on the results of these studies, the overall oral acute LD50 is >
4350 mg/kg bw. In an acute dermal toxicity study performed with the
analogue substance decyl oleate (CAS 3687-46-5), no mortality was
observed and the acute dermal LD50 was considered to be > 2000 mg/kg bw
No information is available for acute inhalation toxicity, since human
exposure by inhalation is unlikely given the low vapour pressure
(0.004-0.045 Pa at 20 °C) and uses of isononyl isononanoate.
Based on read-across from the structurally similar substances, the
available data on oral and dermal toxicity do not meet the
classification criteria according to Regulation (EC) 1272/2008 or
Directive 67/548/EEC, and are therefore conclusive but not sufficient
There are no data available on acute inhalation 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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