α,α,α-trichlorotoluene

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

The authors tested the hydrolysis of benzotrichloride in light and heavy water following a methodology described by Robertson R.E. in 1955 (Canadian Journal of Chemistry, 33, 1536). GLP standards are not specified but the study is considered Klimisch 2e as it is well documented, meets generally accepted scientific principles and is acceptable for assessment.

Data source

Reference

Reference 1

Reference Type:

publication

Title:

Solvolysis in hydrogen and deuterium oxide

Author:

Laughton P.M. and Robertson R.E.

Year:

1959

Bibliographic source:

Canadian Journal of Chemistry, 37: 1491 - 1496

Reference 2

Reference Type:

review article or handbook

Title:

alpha, alpha, alpha-trichlorotoluene (trichloromethylbenzene)

Author:

UNEP

Year:

2004

Bibliographic source:

OECD SIDS

Materials and methods

Principles of method if other than guideline:

Method of measuring kinetic rates was similar to those used previously (Robertson R.E., 1955, Canadian Journal of Chemistry, 33, 1536)

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

α,α,α-trichlorotoluene

EC Number:

202-634-5

EC Name:

α,α,α-trichlorotoluene

Cas Number:

98-07-7

Molecular formula:

C7H5Cl3

IUPAC Name:

α,α,α-trichlorotoluene

Constituent 2

Reference substance name:

trichloromethylbenzene

IUPAC Name:

trichloromethylbenzene

Details on test material:

- Name of test material (as cited in study report): PhCCl3

No more data available

Radiolabelling:

not specified

Study design

Analytical monitoring:

not specified

Results and discussion

Transformation products:

not specified

Dissipation DT50 of parent compound

Dissipation DT50 of parent compound 1

Temp.:

5.1 °C

DT50:

2.99 min

St. dev.:

0.04

Type:

(pseudo-)first order (= half-life)

Remarks on result:

other: hydrolysis in hydrogen oxide

Dissipation DT50 of parent compound 2

Temp.:

5.1 °C

DT50:

3.76 min

St. dev.:

0.18

Type:

(pseudo-)first order (= half-life)

Remarks on result:

other: hydrolysis in deuterium oxide

Any other information on results incl. tables

- The hydrolysis rate constants were

for hydrogen oxide: k_H20X 10⁵sec^-1: 387 +/- 5

for deuterium oxide: k_D20X 10⁵sec^-1: 307 +/- 15

- The half-life values were calculated using the formula: t_1/2 = ln 2 / (k_H20)

- k_D20 / k_H2O: 0.79

No more data available

Applicant's summary and conclusion

Validity criteria fulfilled:

not applicable

Conclusions:

The authors tested the hydrolysis of benzotrichloride in light and heavy water following a methodology described by Robertson R.E. in 1955 (Canadian Journal of Chemistry, 33, 1536). In the test conditions, the hydrolysis rate of the test substance was 387 +/- 5 (kH20X 10E5 sec-1) for hydrogen oxide and 307 +/- 15 (kD20X 10E5 sec-1) for deuterium oxide. Using the formula t1/2 = ln 2 / (kH20) the half-life was calculated which are 2.99 min in hydrogen oxide and 3.76 min in deuterium oxide. The relation of rate ratios (kD20 / kH2O) is 0.79.

Executive summary:

The authors tested the hydrolysis of benzotrichloride (CAS n° 98-07-7) in light and heavy water following a methodology described by Robertson R.E. in 1955 (Canadian Journal of Chemistry, 33, 1536).

In the test conditions, the hydrolysis rate of the test substance was 387 +/- 5 (kH20X 10E5 sec-1) for hydrogen oxide and 307 +/- 15 (kD20X 10E5 sec-1) for deuterium oxide at 5.10°C. Hence, using the formula t1/2 = ln 2 / (kH20), the half life values for the test substance in hydrogen oxide and deuterium oxide are 2.99 min and 3.76 min respectively. The relation of rate ratios (k_D20/k_H20) is 0.79.

GLP standards are not specified but this study should be considered as reliable with restrictions as it is well documented, meets generally accepted scientific principles and is acceptable for assessment.