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DL-LACTONE CAS N°:79-50-5 - page 30 / 113

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OECD SIDS 2. PHYSICO-CHEMICAL DATA

DL-LACTONE

ID: 79-50-5 DATE: 18.01.2006

Samples from all vessels aqeous phase and a pipet phase samples were dilut to analysis, octanolphas acetonitrile (HPLC grade then with mobile phase p were chosen in such a wa concentrations fell well The concentration of dl- determined using an HPLC

were taken wi te for the oct ed with mobile e samples were , Labscan Co, rior to analys y that the fin

within the ca lactone in the

method:

th a syringe for the anol phase. Aqueous

phase (see below) prior diluted first with Dublin, Ireland) and is. dilution factors al test substance libration range.

two phases was

Column

Mobile phase

Flow Detection

Interface Monit masse

s

LiChrospher 100RP-18, 250*4 (i.d.) mm, d(rho)= 5 µm (Merck, Germany) 20/80/0.1 (v/v/v) acetonitrile/Milli-Q water/formic acid 1 ml/min SCIEX MSMS system API-300 mass spectrometer (Perkin Elmer, USA) ion-spray, positive mode MRM m/z 131.3 --> 113.0 (test substance)

MRM m/z 127.2 --> 98.9 (internal standard)

Result:

1:1 (blank)

-

-

1:1

0.219

-0.66

6.3

1:1

0.223

-0.65

6.3

1:2

0.203

-0.69

6.5

1:2

0.198

-0.70

6.5

2:1

0.190

-0.72

6.4

2:1

0.179

-0.75

6.4

Calibration solutions were made up from stock solutions on each day of analysis. Partition coefficients of the single vessels

100 µl 4-hydroxy-6-methyl-2-pyrone (98%, Sigma- Aldrich, USA)

pH(aq)

Inject volum Int standard

e

logKow

n-Octanol/water ratio

Kow

Test substance:

Artihmetic dl-Lactone

average 0.202±0.017 -0.69 from Roche Dalry, batch no. 805046,

purity

100.0%

Conclusion:

as per the CoA. Based on an experimental n-octanol/water partition coefficient, dl-lactone is not expected to partition

significantly to organic phases or

tissues,

but

rather

to

remain in aqueous phases.

Reliability:

(1)

valid

without

restriction

Flag: 17-AUG-2004

OECD 107 Critical

test under GLP. study for SIDS endpoint

(62)

Partition Coeff.: water - air

Method: Year: GLP:

other (calculated): QSAR modelling and approximation 2004 no

Result:

2.82E-5

bond estimate;

2.05E-10

VP estimate/Wsol estimate;

-

no group estimate

Henry's Law Constant

Source

KH, atm*m3/mol

EPISuite v3.11 (Henry v3.10):

4.31E-9

SPARC On-Line (25 °C)

30

UNEP PUBLICATIONS

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