Registration Dossier
Registration Dossier
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EC number: 221-220-5 | CAS number: 3033-62-3
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other: modeling
- Title:
- No information
- Author:
- EPI Suite
- Year:
- 2 011
- Bibliographic source:
- EPI SUMMARY (v4.00)
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- AOP Program (v1.92):
===========================
SMILES : N(CCOCCN(C)C)(C)C
CHEM : 2,2'-Oxybis(N,N-dimethyl ethanamine)
MOL FOR: C8 H20 N2 O1
MOL WT : 160.26 - GLP compliance:
- no
Test material
- Reference substance name:
- N,N,N',N'-tetramethyl-2,2'-oxybis(ethylamine)
- EC Number:
- 221-220-5
- EC Name:
- N,N,N',N'-tetramethyl-2,2'-oxybis(ethylamine)
- Cas Number:
- 3033-62-3
- Molecular formula:
- C8H20N2O
- IUPAC Name:
- {2-[2-(dimethylamino)ethoxy]ethyl}dimethylamine
- Test material form:
- liquid
Constituent 1
Study design
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5E6 OH/cm3 (12-hr day)
- Degradation rate constant: 211.8782 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 deg C
- Computer programme: AOP Program (v1.92)
- Other:
Results and discussion
Any other information on results incl. tables
AOP Program (v1.92) Results:
===========================
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 79.8782 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 132.0000 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 = 211.8782 E-12 cm3/molecule-sec
HALF-LIFE = 0.050 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 0.606 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database: NO Structure Matches
Fraction sorbed to airborne particulates (phi):
1.92E-006 (Junge-Pankow, Mackay avg)
0.000371 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Applicant's summary and conclusion
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