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DL-LACTONE CAS N°:79-50-5 - page 36 / 113

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OECD SIDS 3. ENVIRONMENTAL FATE AND PATHWAYS

DL-LACTONE

ID: 79-50-5 DATE: 18.01.2006

3.1.1 Photodegradation

Type: air INDIRECT PHOTOLYSIS

Sensitizer:

OH

Method: Year: GLP:

other (calculated) 1997 no

Test substance:

as prescribed by 1.1 - 1.4

Method:

Rorije and colleagues computed QSAR atmospheric half-lives for 1073 high production volume chemicals using the AOP v1.83 program (nowadays integrated in EPISuite, please see there) and the MOOH method described by Klamt [Klamt A (1993): Estimation of gas-phase hydroxyl radical rate constants of organic compounds from molecular orbital calculations.

Chemosphere 26(7): gas-phase hydroxyl compounds based on

1273-1289; Klamt A (1996):

Estimation

of

radical

rate

constants

of

oxygenated

molecular

orbital

calculations.

Chemosphere

Result:

32(4): 717-726]. QSAR half-life, h 6.27

Mediator Source OH radicals AOP v1.83

  • -

    (none predicted) O3

AOP v1.83

    • 38.801

      OH radicals EPISuite v3.11

    • 21.88

      OH radicals MOOH model

(AOP v1.91)

- 22.3 average value, will be used for further modelling.

--- Assumed OH radical concentration in all models:

1.5*10E6 molecules/(cm3 * 12-hour day)

Reliability:

(2) The

valid with restrictions authors used rational QSAR

methods

to

predict

degradation

Flag: 20-AUG-2004

rates in a project Dutch governmant. Critical study for

sponsored and

SIDS endpoint

quality-controlled

by

the

(20)

(40)

3.1.2 Stability in Water

t1/2

pH4:

t1/2

pH7:

t1/2

pH9:

t1/2

pH 7 :

Type

:

Degradation:

abiotic

  • >

    1 year at 25 degree C

1 - 365 day(s) at 25 degree C 1 - 365 day(s) at 25 degree C

ca. 30.1 day = 57 % after

(s) at 25 degree C 5 day(s) at pH 7 and 50 degree C

Deg. products:

not measured

Method:

Year: GLP: Test substance

:

Directive 92/69/EEC, C.7 1999 yes as prescribed by 1.1 - 1.4

Method:

Sterile buffer solutions were prepared for target pH 4, 7 and 9 as follows: pH 4 acetate buffer: sodium acetate, acetic acid (both p.a., Merck) and Milli-Q water;

36

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