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EC number: 451-160-7
CAS number: 17913-76-7
Kow(version 1.68 estimate): 4.32
FOR: C14 H30 O2
WT : 230.39
NUM | LOGKOW
FRAGMENT DESCRIPTION | COEFF | VALUE
Frag | 6 | -CH3 [aliphatic
0.5473 | 3.2838
Frag | 4 | -CH2- [aliphatic
0.4911 | 1.9644
Frag | 2 | -CH [aliphatic
0.3614 | 0.7228
Frag | 2 | -OH [hydroxy,
aliphatic attach] |-1.4086 |
Frag | 2 | -tert
or more carbon attach] |
0.2676 | 0.5352
Factor| 1 | Multi-alcohol
0.4064 | 0.4064
| | Equation
Constant | | 0.2290
Kow = 4.3244
This substance is not expected to adsorb strongly to soils due to its
low water solubility. Based on the surface-active nature of this
chemical, modelling of the partition coefficient was conducted with
EpiSuite v4.11, KOWWIN v1.68, giving an estimated logPow of 4.32.
The logKow of 2,4,7,9-tetramethyldecane-4,7-diol
was calculted according to the method established in OECD
guideline 117 CLOGP. This substance is not expected to adsorb strongly
to soils due to its low water solubility. Using OECD TG 117 by
calculation, logPow was estimated to be 3.8.
Test not conducted. Values were estimated using EPI Suite v3.20 and OECD TG 117 Partition Coefficient (n-octanol/water).logPow = 3.8 (CLOGP)logPow = 4.32 (KOWWIN)The distribution coefficient was estimated by the HPLC method using isocratic elution. The procedure conformed to those outlined in OECD Guideline 121 and EC Directive 2001/59/EC Method C19.LogKoc = 3.88, within a 95% confidence range of 3.46 to 4.44
logPow is estimated to range between 3.8 and 4.32 according to
calculations and QSAR estimations.
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