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EC number: 216-983-6 | CAS number: 1712-64-7
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Hydrolitic decomposition os esters of nitric acids
- Author:
- John W. Baker, D. M. Easty
- Year:
- 1 952
- Bibliographic source:
- Journal of Chemical Society
- Reference Type:
- publication
- Title:
- The chemistry of nitrate esters
- Author:
- R Boschan, R. T. Merrow, P. W. Van Dolah
- Year:
- 1 955
- Bibliographic source:
- ACS Publication
- Reference Type:
- publication
- Title:
- TKinetics, products, reaction mechanisms, and atmospheric impact - Scientific Figure on ResearchGate.
- Author:
- Unknown
- Year:
- 2 016
- Bibliographic source:
- https://www.researchgate.net/The-hydrolysis-rate-constants-s-1-for-isopropyl-nitrate-IPN-red-and-isobutyl_fig1_311624333 [accessed 9 May, 2018]
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Kinetic study of alkaline hydrolysis of isopropyl nitrate in aqueus alcohol.
- GLP compliance:
- no
Test material
- Reference substance name:
- Isopropyl nitrate
- EC Number:
- 216-983-6
- EC Name:
- Isopropyl nitrate
- Cas Number:
- 1712-64-7
- Molecular formula:
- C3H7NO3
- IUPAC Name:
- propan-2-yl nitrate
- Test material form:
- liquid
Constituent 1
Results and discussion
- Transformation products:
- not specified
Dissipation DT50 of parent compound
- pH:
- 6.9
- Hydrolysis rate constant:
- ca. 0 s-1
- Type:
- not specified
- Remarks on result:
- other: No information about the temperature.
- Details on results:
- In all experiments, the addition of an organic nitrate standard to aqueous solution resulted in hydrolysis of the organic nitrate functionality, with first order loss rates that increased
with solution acidity. For the tertiary APN, hydrolysis rate constants ranged from 3.2 ×10−5s−1at neutral pH (6.9) to 2.0 ×10−3s−1at low pH (0.25). The hydrolysis rate constants for the secondary isopropyl nitrate and the primary isobutyl nitrate displayed nearly identical kinetics, and had rate constants smaller by more than 2 orders of magnitude relative to the APN, ranging from 1.23 ×10−7s−1at neutral pH (6.9) to 1.1 ×10−5s−1at low pH (0.25), when
data from both experiments were averaged together.
The average hydrolysis lifetimes of isopropyl nitrate and isobutyl nitrate range from approximately 1 day at low pH to greater than 8 months at neutral conditions.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The hydrolysis of organic nitrates within the particle phase will lead to a decreased effective lifetime for
NOx and, thus, decreased ozone transport. However, the observed organic hydrolysis product, pinol, is relatively volatile
and may partition back to the gas phase, decreasing organic aerosol mass.
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