Reaction products of 2-(chloromethyl)oxirane and glycerol

Developmental toxicity / teratogenicity

Administrative data

Endpoint:

developmental toxicity

Type of information:

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

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: OECD Toolbox 3.0, is a harmonized system for OSAR application and grouping chemicals into categories, which OECD principles are met

Data source

Reference

Reference Type:

other: prediction by the OECD QSAR Toolbox

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 414 (Prenatal Developmental Toxicity Study)

Deviations:

no

GLP compliance:

not specified

Limit test:

no

Test material

Test material information

Constituent 1

Reference substance name:

2,3-epoxypropan-1-ol

EC Number:

209-128-3

EC Name:

2,3-epoxypropan-1-ol

Cas Number:

556-52-5

Molecular formula:

C3H6O2

IUPAC Name:

oxiran-2-ylmethanol

Constituent 2

Reference substance name:

Glycidol

IUPAC Name:

Glycidol

Details on test material:

Target substance:
Mixture of 1,2,3-Propanetriol, polymer with 2-(chloromethyl)oxirane (CAS 25038-044-4) and 1,2,3-Propanetriol, glycidyl ethers:
SMILES:C(O)(CO)CO_C1(CCl)CO1_C1(COC(COCC2CO2)COCC2CO2)CO1

Read-across substance:
- Glycidol (CAS 556-52-5): C1(CO)CO1
- Epichlorohydrin (CAS 106-89-8): C1(CCl)CO1
- 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (CAS 2386-87-0): C(=O)(C1CC2C(CC1)O2)OCC1CC2C(CC1)O2

Test animals

Species:

other: Mouse; Rat

Strain:

other: CD-1; Sprague Dawley; Crl:CD®(SD)IGS BR

Administration / exposure

Route of administration:

oral: gavage

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:

other: LOEL, NOEL, NOAEL

Effect level:

415 mg/kg bw/day

Basis for effect level:

other: other:

Remarks on result:

other: no further information available

Results (fetuses)

Effect levels (fetuses)

Remarks on result:

other: not specified

Fetal abnormalities

Abnormalities:

not specified

Overall developmental toxicity

Developmental effects observed:

not specified

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: LOEL,NOEL,NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Epoxides by US-EPA New Chemical Categories

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.1

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.37

Applicant's summary and conclusion

Conclusions:

Category members were not developmental toxicants in the animal studies. Therefore no developmental toxicity can be assigned for the target substance.

Executive summary:

The target chemical was profiled as "Epoxides" by the "US EPA New Chemical Categories". Common properties of epoxides are high reactivity, cytotoxicity, and high probability of mutagenic potential and/or carcinogenicity. Therefore chemicals with the same profiling result have been retrieved from the database. The chemicals containing other chemical elements in their structure and/or other organic functional groups were considered dissimilar to the target chemical and have been removed from the domain.

The target chemical is obtained by the reaction of epichlorohydrin with glycerol. Therefore, epichlorohydrin is considered to be a suitable candidate for read-across. Glycidol is the simplest representative of glycidyl ethers category (HPV, Epoxy Resin Systems Task Group (ERSTG), 2001). 7-oxabicyclo-hept-3-ylmethyl 7-oxabicyclo-heptane-3-carboxylate is more lipophilic representative of glycidyl ethers category. Moreover, the profiling results of the category members regarding their ability to bind to proteins and to DNA (properties which are likely responsible for developmental toxicity) are similar to those of the target chemical.

Epichlorhydrin if administered to pregnant rats caused no embryotoxic, foetotoxic or teratogenicity effects (Mark et al., 1982; John, 1983). No developmental malformations were noted in mice treated with glycidol in a developmental study (Mark et al., 1982; IARC Monographs, Volume 77). No influence on embryonic or pup development was observed in the 13- week repeated dose toxicity and fertility study conducted with triglycidyl isocyanurate (HPV, No. 201 -15759).