6,6-dimethoxy-2,5,5-trimethylhex-2-ene

Endpoint summary

Description of key information

The experimental data on the target substance and the QSAR prediction on rats and mice confirm the lack of toxicity of methyl pamplemousse in an in vivo test system post single application of the test substance.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Reference 1

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1979-01-13

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Test method and results not sufficiently detailed

Qualifier:

no guideline followed

Principles of method if other than guideline:

Method according to the typical testing for acute oral toxicity: 10 animals/dose by oral route

GLP compliance:

no

Test type:

standard acute method

Limit test:

no

Specific details on test material used for the study:

- Name of test material (as cited in study report): Methyl pamplemousse LRG 1393 1,1-dimethoxy-2,2,5 trimethyl-4-hexene

Species:

mouse

Strain:

other: SPF albino

Sex:

male/female

Details on test animals or test system and environmental conditions:

- body weight between 17 and 20g

Route of administration:

oral: unspecified

Vehicle:

other: Gum Arabic

Details on oral exposure:

no data

Doses:

1000, 2000, 4000, 8000 mg/kg bw

No. of animals per sex per dose:

Main test: 10 mice per dose

Control animals:

no

Details on study design:

MAIN TEST
- 10 animals per dose level
- Duration of observation period following administration: 10 days

Statistics:

None

Preliminary study:

No data

Sex:

not specified

Dose descriptor:

LD50

Effect level:

> 8 000 mg/kg bw

Based on:

test mat.

Mortality:

There were no deaths.

Clinical signs:

other: Abnormal behaviour reversible within 24 or 72 hours

Gross pathology:

No data

Other findings:

None

Interpretation of results:

GHS criteria not met

Conclusions:

The acute LD50 of the test material to male and female mice was greater than 8000 mg/kg body weight when administered by the oral route of exposure.

Executive summary:

In an acute oral toxicity study, 4 groups of 10 mice (males and females) were given a single oral dose of LRG-1393 at 1000, 2000, 4000 and 8000 mg/kg b.w.

There were no deaths during the study at 24 hours after exposure or at 10 days after exposure.

Oral LD₅₀ > 8000 mg/kg b.w.

Under the test conditions, LRG-1393 is not classified according to the annex VI of the Regulation (EC) No. 1272/2008 (CLP) and of the Directive 67/548/EEC.

Reference 2

Endpoint:

acute toxicity: oral

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

1 (reliable without restriction)

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

Justification for type of information:

1. SOFTWARE
OECD [Q]SAR Toolbox
2. MODEL (incl. version number)
QSAR Toolbox 4.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
COC(OC)C(C)(C)CC=C(C)C
CAS 67674-46-8
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please see the attached OECD [Q]SAR Toolbox report.
5. APPLICABILITY DOMAIN
The prediction is based on 6 values within range 2.96E+03 - 4.52E+03 mg/kg bdwt
6. ADEQUACY OF THE RESULT
Prediction confidence range (0.95%): ± 1.7E+03 mg/kg bdwt

Guideline:

other: REACH Guidance: Chapter R.6: QSARs and grouping of chemicals, May 2008.

Sex:

not specified

Dose descriptor:

LD50

Effect level:

4 180 mg/kg bw

Based on:

test mat.

Interpretation of results:

GHS criteria not met

Conclusions:

The predicted LD50 in mice/rats is 4.18E3 (2.48E3;5.88E3) mg/kg.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

mg/kg bw

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size

Endpoint conclusion

Endpoint conclusion:

no study available

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

other:

Endpoint conclusion

Endpoint conclusion:

no study available