Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 201-072-8 | CAS number: 77-95-2
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Value is predicted from model. Thus, it provides an approximation compared to experimental measure.
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.11
- Release year:
- 2 013
- Media:
- other: air- water- soil- sediment
Test material
- Reference substance name:
- 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
- EC Number:
- 201-072-8
- EC Name:
- 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
- Cas Number:
- 77-95-2
- Molecular formula:
- C7H12O6
- IUPAC Name:
- (1S, 3R, 4S, 5R)- 1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid
- Test material form:
- not specified
- Details on test material:
- Calculation is based on the structure of quinic acid.
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.007
- Water (%):
- 28.2
- Soil (%):
- 71.8
- Sediment (%):
- 0.059
Any other information on results incl. tables
| air | water | soil | sediment | |
mass amount (%) |
0.00695 | 28.2 | 71.8 | 0.0593 |
| half-life (hr) | 6.32 | 208 | 416 | 1.87E+003 |
| emissions (kg/hr) | 1000 | 1000 | 1000 | 0 |
| fugacity (atm) | 3.9E-015 | 6.89E-017 | 3.61E-015 | 5.85E-017 |
reaction (kg/hr) |
9.43 | 1.16E+003 | 1.48E+003 | 0.272 |
advection (kg/hr) |
0.86 | 349 | 0 | 0.0147 |
reaction (%) |
0.314 | 38.7 | 49.3 | 0.00906 |
advection (%) |
0.0287 | 11.06 | 0 | 0.00049 |
persistence time: 413 hr
reaction time: 467 hr
advection time: 3.54E+003 hr
percent reacted: 88.3
percent advected: 11.7
half-lives (hr), (based upon Biowin and Aopwin):
air: 6.319
water: 208.1
soil: 416.2
sediment: 1873
biowin estimate: 3.407 (days-weeks)
advection time:
air: 100
water: 1000
sediment: 5E+004
Applicant's summary and conclusion
- Conclusions:
- According to the calculated distribution quinic acid mainly retains to soil and water.
- Executive summary:
According to the fugacity model, Level III, the distribution of quinic acid to air - water - soil - sediment is 0.00695 - 28.2 - 71.8 - 0.0593 %. These results show, that the majority retains in soil and water, while there is just little available in the air and sediments.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
