2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: QSAR

Test material

Test material information

Constituent 1

Reference substance name:

3,7,11,15-tetramethylhexadec-2-en-1-ol

EC Number:

616-221-6

Cas Number:

7541-49-3

Molecular formula:

C20H40O

IUPAC Name:

3,7,11,15-tetramethylhexadec-2-en-1-ol

Test animals

Species:

rat

Results and discussion

Effect levels

Key result

Dose descriptor:

LD50

Effect level:

ca. 2 400 mg/kg bw

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

In this report, two molecular toxicity prediction software packages, ACD/TOX and DS/TOPKAT, respectively, were applied for predicting the acute oral toxicity of the compound 3,7,11,15-tetramethyl-2-hexadecen-1-ol using their acute oral toxicity QSTR models. ACD/TOX predicted that the compound might have a mouse acute oral toxicity LD50 of 660 mg/kg and a rat acute oral toxicity LD50 of 2700 mg/kg. Meanwhile, DS/TOPKAT calculated its rat acute oral toxicity LD50 value could be 2400 mg/kg. Both model-estimated acute oral toxicity data and published experimental acute oral toxicity data of similar compounds indicated 3,7,11,15-tetramethyl-2-hexadecen-1-ol would maybe be harmful if swallowed.