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Environmental fate & pathways

Phototransformation in air

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Administrative data

Endpoint:
phototransformation in air
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed publication, suitable for assessment

Data source

Reference
Reference Type:
publication
Title:
The reaction of selected acetates with the OH radical in the presence of NO: Novel rearrangement of alkoxy radicals of structure RC(O)OCH(O)R
Author:
Tuazon, E.C., Aschmann, S.M., Atkinson, R., Carter,W.P.L.
Year:
1998
Bibliographic source:
J. Phys. Chem 102:2316-2321

Materials and methods

Principles of method if other than guideline:
Tertiary butyl acetate is reacted with OH radicals in the presence of NO and the products are investigated using in situ Fourier Transform Infrared spectroscopy and gas chromatography.
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Purity: 99+% (obtained from Aldrich Chemical Company).

Study design

Light source:
Xenon lamp
Light spectrum: wavelength in nm:
> 300
Details on light source:
The light source was provided by a 24 kW xenon arc filtered through a 0.25 inch thick Pyrex pane (to exclude wavelengths <300nm).
Duration of test at given test condition
Duration:
65 min
Temp.:
298 K
Reference substance:
not specified

Results and discussion

Transformation products:
yes
Identity of transformation productsopen allclose all
No.:
#1
Reference
Reference substance name:
Unnamed
Inventory number:
InventoryMultipleMappingImpl [inventoryEntryValue=EC 200-662-2]
IUPAC name:
Acetone
CAS number:
67-64-1
Molecular formula:
C3 H6 O
Molecular weight:
58.1
SMILES notation:
CC(=O)C
InChl:
InChI=1/C3H6O/c1-3(2)4/h1-2H3
No.:
#2
Reference
Reference substance name:
Unnamed
Inventory number:
InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-564-8]
IUPAC name:
acetic anhydride
CAS number:
108-24-7

Any other information on results incl. tables

The products formed when tertiary butyl acetate is reacted with OH radicals were analysed by FTIR and GC-FID. These products were determined to be acetic anhydride and acetone with molar formation yields of 0.49 +/- 0.05 and 0.20 +/- 0.02 respectively.

Applicant's summary and conclusion

Conclusions:
Under the conditions of this study, the products formed when tertiary butyl acetate is reacted with OH radicals in the presence of NO are acetone and acetic anhydride with molar formation yields of 0.20 +/- 0.02 abd 0.49 +/- 0.05 respectively.