2-Heptanol, 3,6-dimethyl-

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Experimental result for an structural analogue. Peer-reviewed data, it is assumed that variety of data sources have been consulted, that the test methodology and identity of the test substance has been evaluated, and that a reliable and representative value for the endpoint has been selected.

Data source

Reference

Reference Type:

publication

Title:

A safety assessment of branched chain saturated alcohols when used as fragrance ingredients

Author:

D. Belsito, D. Bickers, M. Bruze, P. Calow, H. Greim, J.M. Hanifin, A.E. Rogers, J.H. Saurat, I.G. Sipes, H. Tagami, The RIFM Expert Panel

Year:

2010

Bibliographic source:

Food and chemical Toxicology 48 (2010) S1-S129

Materials and methods

Test guideline

Qualifier:

no guideline available

Guideline:

other: not detailed

GLP compliance:

not specified

Test type:

other: no data

Test material

Test material information

Constituent 1

Reference substance name:

2,6-dimethylheptan-4-ol

EC Number:

203-619-6

EC Name:

2,6-dimethylheptan-4-ol

Cas Number:

108-82-7

IUPAC Name:

2,6-dimethylheptan-4-ol

Details on test material:

- Name of test material (as cited in study report): 2,6-Dimethyl-4-heptanol
- Molecular formula (if other than submission substance): C9H20O
- Molecular weight (if other than submission substance): 144.25 g/mol
- Structural formula attached as image file (if other than submission substance): see Fig. 1
- Substance type: secondary alcohol
- Log Kow (calculated; EPA, 2010): 3.08.
- Boiling point (calculated; EPA, 2010): 177.59 C.
- Henry’s law (calculated; EPA, 2010): 0.0000412 atm m3/mol
- Vapor pressure: (calculated; EPA, 2010): 0.334 mm Hg; 44.5 Pa (25 C).
- Water solubility (calculated; EPA, 2010): 613.8 mg/l @ 25 C.
- UV spectra available, does not absorb UV light.

Test animals

Species:

rat

Sex:

male

Administration / exposure

Route of administration:

oral: unspecified

Details on oral exposure:

single dose

Doses:

4 doses: 1000, 2000, 4000 and 8000 mg / Kg of bodyweight

No. of animals per sex per dose:

5 males per dose

Control animals:

not specified

Results and discussion

Effect levels

Sex:

male

Dose descriptor:

LD50

Effect level:

3 560 mg/kg bw

Based on:

test mat.

95% CL:

>= 1 430 - <= 8 860

Applicant's summary and conclusion

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

This substance is regarded as not classified for acute oral toxicity according to REGULATION (EC) No 1272/2008 (CLP) as LD50 > 2.000 mg/Kg of bodyweight.

Executive summary:

Five rats per dose were given a single dose of 2,6-dimethyl-4 -heptanol at 1000, 2000, 4000, and 8000 mg/kg bodyweight. Observations for mortality and or systemic effects were made for 14 days. The acute oral LD50 in rats was calculated to be 3560 mg/kg of bodyweight, with a 95% confidence interval of 1430 – 8860 mg/kg of bodyweight).

Reference cited: Smyth, H.F., Carpenter, C.P., Weil, C.S., 1949. Range-finding toxicity data, list III. The Journal of Industrial Hygiene and Toxicolology 31 (1), 60–62.