Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
other distribution data
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Study period:
approx. 1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data from peer-reviewed report

Data source

Reference
Reference Type:
publication
Title:
Isophorone
Author:
WHO (World Health Organization)
Year:
1995
Bibliographic source:
WHO (World Health Organization), Geneva 91

Materials and methods

Principles of method if other than guideline:
Calculation based on physicochemical properties
GLP compliance:
no
Type of study:
volatility
Media:
water - air

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5,5-trimethylcyclohex-2-enone
EC Number:
201-126-0
EC Name:
3,5,5-trimethylcyclohex-2-enone
Cas Number:
78-59-1
Molecular formula:
C9H14O
IUPAC Name:
3,5,5-trimethylcyclohex-2-enone
Constituent 2
Reference substance name:
Isophorone
IUPAC Name:
Isophorone
Details on test material:
Isophorone

Results and discussion

Any other information on results incl. tables

Volatilization half-life in a model river (flow 1 m/sec) was calculated  to 7.5 days, based on a water solubility or 12 g/l and a vapour pressure  of 40 Pa at 20 °C (Henry's law constant: 0.59 Pa m3/mol). Based on a  water solubility of 17.5 g/l, the volatilization half-life would be 11  days.

Applicant's summary and conclusion

Conclusions:
Volatilization half-life in a model river (flow 1 m/sec) was calculated to 7.5 days.
Executive summary:

Volatilization half-life in a model river (flow 1 m/sec) was calculated to 7.5 days