Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Materials and methods

GLP compliance:

Test material

Constituent 1
Chemical structure
Reference substance name:
EC Number:
EC Name:
Cas Number:
Molecular formula:
Details on test material:
SMILES : c1(C(C)CC)cc(C(C)CC)cc(C(C)CC)c1O

Study design

Estimation method (if used):
Calculation done with EPIWIN v 4.1 AOP Program (v1.92)

Results and discussion

Dissipation half-life of parent compound
0.36 d

Any other information on results incl. tables

AOP Program (v1.92) Results:


SMILES : c1(C(C)CC)cc(C(C)CC)cc(C(C)CC)c1O

MOL FOR: C18 H30 O1

MOL WT : 262.44

------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------

Hydrogen Abstraction = 11.6087 E-12 cm3/molecule-sec

Reaction with N, S and -OH = 0.1400 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 = 17.9250 E-12 cm3/molecule-sec

Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec

OVERALL OH Rate Constant = 29.6738 E-12 cm3/molecule-sec

HALF-LIFE = 0.360 Days (12-hr day; 1.5E6 OH/cm3)

HALF-LIFE = 4.325 Hrs

Applicant's summary and conclusion