Registration Dossier
Registration Dossier
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EC number: 232-489-3 | CAS number: 8052-41-3 A colorless, refined petroleum distillate that is free from rancid or objectionable odors and that boils in a range of approximately 148.8°C to 204.4°C (300°F to 400°F).
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction:US EPA accepted QSAR method for chemicals properties assessment. Model considered valid by OECD
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR model, EPI Suite v 4.1/Aopwin v1.92
- GLP compliance:
- no
- Remarks:
- not applicable
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS - assumed reaction conditions used in model:
- Concentration of OH radicals:1.5E6 per cm3
- Temperature for which rate constant was calculated: 25C
- Computer programme: AOPWIN v1.92 - Light source:
- sunlight
- Preliminary study:
- Using the AOPWIN QSAR model, the photochemical degradation rate of Stoddard solvent in the atmosphere is 11.1105 E-12 cm3/molecule-sec, with a resultant predicted half live of 11.552 Hrs (0.963 Days (12-hr day; 1.5E6 OH/cm3)
OVERALL OH Rate Constant = 11.1105 E-12 cm3/molecule-sec
HALF-LIFE = 0.963 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 11.552 Hrs
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Transformation products:
- no
- Results with reference substance:
- OVERALL OH Rate Constant = 11.1105 E-12 cm3/molecule-sec
HALF-LIFE = 0.963 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 11.552 Hrs
- Validity criteria fulfilled:
- yes
- Remarks:
- The photochemical degradation rate of Stoddard solvent in the atmosphere is 11.1105 E-12 cm3/molecule-sec, with a resultant predicted half live of 11.552 Hrs (0.963 Days (12-hr day; 1.5E6 OH/cm3)
- Conclusions:
- Using the AOPWIN QSAR model, the photochemical degradation rate of Stoddard solvent in the atmosphere is 11.1105 E-12 cm3/molecule-sec, with a resultant predicted half live of 11.552 Hrs (0.963 Days (12-hr day; 1.5E6 OH/cm3)
- Executive summary:
Using the AOPWIN QSAR model, the photochemical degradation rate of Stoddard solvent in the atmosphere is 11.1105 E-12 cm3/molecule-sec, with a resultant predicted half live of 11.552 Hrs (0.963 Days (12-hr day; 1.5E6 OH/cm3)
- Endpoint:
- phototransformation in air
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
Referenceopen allclose all
Hydrogen Abstraction = 11.1105 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.0000 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 11.1105 E-12 cm3/molecule-sec
HALF-LIFE = 0.963 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 11.552 Hrs
Description of key information
Using the AOPWIN QSAR model, the photochemical degradation rate of Stoddard solvent in the atmosphere is 11.1105 E-12 cm3/molecule-sec, with a resultant predicted half live of 11.552 Hrs (0.963 Days (12-hr day; 1.5E6 OH/cm3)
Stoddard solvent has low vapor pressure (231 Pa ) indicating significant amounts of Stoddard solvent are unlikely to be present in the atmosphere for photodegradation. The estimated half-life is about 11.552 Hrs (OH rate = 1.1105 E-12 cm3/molecule-sec) with the AOPWIN (US EPA, 2011).If released to air, a vapor pressure of 1.73 mm Hg at 25 deg C (1.71 mm Hg is equivalent to vapour pressure of 231 Pa) indicates significant amounts of Stoddard solvent are unlikely to be present in the atmosphere for photodegradation and therefore Stoddard solvent is not expected to be susceptible to direct photolysis by sunlight.
Key value for chemical safety assessment
- Half-life in air:
- 11.552 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
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