Document 2R3qGR102pw4Y8MjZZ5wXGp1a
OCTANOLMWATER PARTITION COEFFICIENT
EST SUBSTANCE
Identity:
NN--eEtthyFlOpSerEfAllucoorhooolctoarneFMs-ul3f4o2n2a.mid(o1e-tOhcatnaonle;sumlafoynaalmsiodeb,e
referred N-ethyl-
to
as
1.1,2,2.3,3.4,4,5,5,6.6.7.7,8.8,8-heptadecafluoro-N-(2-hydroxyethyl)-,
CAS # 1691-992)
Remarks: Material is an off-white, waxy solid. The test laboratory identifies
the compound as "T-5874" Batch 2334.
METHOD
Method: OECD 117 & EEC-Directive 92/69 EEC, Annex V, Part A.8 GLP (YIN): Yes YAneaalrytciocmapl:letHedP:LC w1i9t9h4.Spectrophotomeric detector
Remarks: references.
TTheessteinsguubssetdansciexsswuebsrteaunsceeds
with known log tocalibrate the
Pelouytivoanluteimseaisnunitsof
10g Pow.
[Referencesubstance | 10gPou |
[Towene
1,4-dichlorobenzene
Fluoranthene (98%)
D2i,be4nz-yDl DT ((9999%%))
| 27 |
[3a|
[a7|
[ [a 62 8 |
AmLstaoccektosnoilturtiiloenaonfdthseontiecsattisnugbfsotra3ncmeinwuatses.preTphaeresdtobcykdsioslsuotlivoinngwa1s65dimlguteidn
50.0 10
times with mobile phase, resulting in the test solution.
Mobile phase is a 75/25 (vv) solution of acetonitrile / Milli-Q water respectively.
RESULTS
[Substa|nToc gPoue|
Benzylalcohol
T1o,l4-udeincehlorobenzene Fluoranthene Diber
11
2374 4478
000009
[_2epTp T 62r|
PPeeaakk 21 (major comp.)
454607
"TrterpolaSteevdefrraolm tshmealrelgrpeessaikosn Ine: y = 0.288% -202.7/304(40.872, 1=6)
CONCLUSIONS
This study estimates the log Pow for N-EtFOSE alcohol. Submitter: 3M Company, Environmental Laboratory, P.O. Box 33331, St. Paul, Minnesota, 55133
DReAliTaAbilQiUtyA:LIKTiYimisch ranking 2
_per OECD. HPLC methods enables partition coefficients to be estimated in the
log Pow range between 0 and 6.
~ONEoCtoDx ssttaatteess, iHmpPuLriCtimeestahroedofismliensosrsiemnpsiotritvaentcoetihneHpPrLesCenmceethoofdi,mphuorwiteiveesrin the
.
tiemsptursiutbisestacnacnemtahaknetthhee SihntaekreprFetlaatsikonmeofthtohde.resNuelvtesrtdihfefliceuslst,duinestoomuencceratsaeisnty in peak assignments. Mixtures which result in an unresolved band, upper and
Toorwdeerr tloimsithsoowf lcoognfPiodesnhcoeuilndthbeemsteaatsedu.reDmuepnltic(a1t0eg aPnaolyvsailsuesshosuhlodulbdefralelpwoirttheidnian
rcoannfgiedeonfc+e/.- 0p.1Holfogeluuniatnst) --isdcartitaicparloovfidioendizmaebalencvoamlpuoeutnhderse.fore can't show
TWihtehosuttudfyludoirdoncohtemiinccalludreefaenryefnlcueocroomchpeomuincdasl,s aitmiosnnogttkhneorwenfewrheentcheesrubtshteasnacemse.
rpeelraftiiuoonrsohailpybleptowreteionnsthaesceaxpiatcsiftoyr fnaocntfolruko"riannadteKd orwefeexriesntcsefmoartceorimaplosusnudcsh waisth
tihnjoesceteudsienddienpethnidsesnttuldyy.toTihnesurreefeaprpernocperciaotmeproeutnendtsiosnhtoiumledahsasviegnbeedetno aelascoh
trheefemreenacne rceotmepntoiuonndt.imReefdeatraenicsegisvuebnstfoarntchees rweefreereinncjeecstuebdsttwaicnec,eshotwhuesver only
repeatability of the retention times is not clear. It was not demonstrated that the
tNeostdmeamtoenrsitarlawtaiosnstohlautblteheinmathjeoracceotomnpiotrnielnetsstoocfktshoelutteisotnsourbsintatnhceemoabreile phase.
detectable at UV & = 210 nm (Generally, UV absorbance detectors poor choice
for N-EtFOSE alcohol and related fluorochemicals). UV adsorption spectra is
n`meaeddeedtohafttthhee mpuarjiofriepdemaakinfrcoommtphoenHenPtLsCoofftthheetteessttssuubsbtsatnacnec.e Aisssthuempmtaijoonrs are
csohmopwontehentm.atNeroiaalttdeemtpetctweadshmasadtehetaopcpornofpirrimattehimsa(ses.)g.. MIatsssnostpkencoawnnalwyhsiesthteor
000010
the major components even comeoffthe column. Some k values reported are
calculated incorrectly.
REFERENCES
SEtnuvidryocnomnednutcalteRdeastetahrechreBq.uVe.s,tTohfe3NMetChoermipaanndsy,
by NOTOX Safety April 7, 1994.
&
000011
+ = ra
REPORT
DETERMINATION OF THE PARTITION COEFFICIENT (N-OCTANOL/WATER) OF
T-5874 BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY (HPLC)
NNOOTTOOXX sPurbosjteacntce12318217857
i
- Page 10f 14 -
000012
RECEIVED
NOV -9 1994
2M TUAICOLOGY
T-5874
NOTOX Project 121275
STATEVENT OF GLP CONPLINCE
NOTOX B.V., 's-Hertogenbosch, The Netherlands
The eon study described oiFn: this report was conducted in compliance with the
; The OECD Principles of Good Laboratory Practice
3
which are essentially in conformity with:
3
Ihe United States Environmental protection Ageney (FIFRA). Title 40 code The United States Food and Drug Administration. Title 21 Code of Federal
Regulations Part 58.
of Federal Regulations Part 160.
The United States Environmental Protection Agency (TSCA). Title 40 Code of Federal Regulations Part 792.
Stuy otractor:
brs. R. do ies
di yN2e 2
Date: hi
8, san
`er -
000013
T-5874
NOTOX Project 121275
QUALITY ASSURANCE STATEMENT
NOTOX B.V., 's-Hertogenbosch, The Netherlands.
Study study
procedures were subject specific processes were
to periodic inspections and general non also inspected at periodic intervals.
mTheitshodrsepoarntd wraessulatusditaecdcurbaytetlhye NrOeTfOlXectQuatlhietyraAvssduatraa.nce Unit and the
DATES OF QAU INSPECTIONS/ AUDITS
REPORTING DATES
25 March 1994
28 March 1994
21 Apri 1990
25 March 1994
28 March 1994 21 Apri 1994
Quality Assurance Manager
.3. Mitchel B.Sc.
Date: OA 0k Aq
- pages -
000014
T-5874
REPORT APPROVAL STUDY DIRECTOR:
MANAGEMENT:
NOTOX Project 121275
Ors. R. de Vries
AXYp= o
!r
Date: "gre 9. wan
SJeActMio.n hevaadn PHehlyvsoiicrotChemistry
PP --\ nate: og lob [1994
0T.ecThionniacCal.DEinrnecitnogra
- pages -
000015
T-5874
NOTOX Project 121275
PREFACE
Sponsor
C3ManaBdealsgtiurmaa-t C1h1emical E8C 8a-e2l0g7i0unZWIINORECHT
Study Monitor
Mr. RH. Cox
Testing Facility
HNOaTmObXskeB.nVw.etering 3 5231 00 's-Hertogenbosch
;;
The Netherlands
;
Study Director Study plan
Ors. R. de Vries SCtoamrptl:ete3d0: Ma07rchApr1i9l94 1954
TEST SUBSTANCE
Identification Description Batch purity Storage conditions coSntadbiitliiotnys under storage Expiry date
T-5874 Crean solid 2334 100% At roon temperature in the dark
stable January 01, 1996
- Pages -
000016
T-5874
NOTOX Project 121275
PURPOSE AND PRINCIPLE
Ttheestpusrupbossteancoef btheetwseteundyn-woacstantooldeatnedrmwianteer.the partition coefficient of the
oTfhethpearteiqtuiiolnibcroieufnficcoinecnetnt(rna-toicotnasnoiln/waattewro)ph(aPsoye) syisstedmeficnoendsisastintgheofratio
n-octanol and water.
TThiequiraetCenhtrioonnatotginreaphoyf a(HPsLuCb)stacnhcreomaitnogararpehviecrsesdy-sptheamseisHirgehlaPteerdfotromaintcse
f;
UfphaseritnigHtPiLtoChnemeHctPohLeCofdfimceiistehonudts,ef(unil-mopcuftorraintoiTleo/sgwaPatoreycr)Vo.falumeisnorbetiwmepeornta0ncaen.d
6. The
HPLC
method
b
mTusstnotalasoppbleicaabplpelietdo sitfrotnhge taecsitdssuanbdstabnacsees,ismeatamlixtcuormepleoxfesc,ompsouubnsdtsancbeust
which react with the eluent or surface-active agents.
GUIDELINES I The study procedure described in this report was based on the following guidelines: CGOruogieadfnefilizicaniteeinotfnor(fnTo-reoscttEiacnnoognlo/mowifactCehCreo)m-iocpHaeilrgsah,tiPoegnrufiodanerdlmiannDeceevneolL.oipqmu1e1i7nd:tCh(*rEPoaCmrDat)ti,otgiOroEnaCpDhy (HPLC) method (adopted March 30, 1989). EA,uroMpoetahnodsEcofnoormitcheCodmemtuenrintiynat(iEEoCn),ofEEpCh-yDsiicroe-ccthievmeic9a2l/69proEpECe,rtiAensn,exA.V8,: Part "partition coefficients. EEC Publication no. L383, December 1992.
ARCHIVING NpOrToOtXocoBl.,V. rweiplolrt,arctheistvesuthbestafnoclelowrienfgerdeantcae sfoarmplaet alnedastraw10dayteaars:
TEST SYSTEM AND RATIONALE
AT(hveHiivgshtaaPcteeitroofnnoairrtymrainplcheea/sweLaitqweuarsi.dboCBnhodrteohdmaHtPsoLigClriacipanhsCtywrgiu.tmhenThtaeatspimoeobcnitlraeonpdhpohctaoosnmedeittwraiisocns75d/eat2re5ector. described in the section "method of chemical analysis". The test systen was recognized by the international guidelines (OECD, EEC).
- Page 6 -
000017
T-s5674
NOTOX Project 121275
REFERENCE SUBSTANCES
Six
the
cehleumtiicoanlstimfeor inwhiucnhitslogofPo1,0g haPsoy.beeTnhe rmeipxotrutreed
vere used to
of reference
calibrate
substances
consisted of:
=~
Z
btLeoonlAzu-yedlniaeclhci(ooph.roaal.b,n(Mzpe.eran.cs,k)(M2e.r5c.,k) Merck)
E21W71
;#
~~ dFiibueonrzaynlthe(n9e9%,(96G%C,, AGCl,drAilcdhriCchhemiCeh)emie)
4a78
f:
2,001 (99%, HPLC, Riede) de Han, Seelze, FRG)
6.2
+ Log 7 values according to the OECD guideline
PERFORMANCE OF THE TEST
preparation of the solutions
DSSrooelnpucaterineotdnrsatiinoofnmetthohefanr1o.el5f-e2r(eHn9Pc/Le1C.-sgruAabdsmeti,axntcuLerasebsco(afenxtcheLepitmirtfeeofrdereCeont.ch,eylmDseuutbbhlsiytnla,knecteIosrneelw)aansdw)ereat a
Spurbespeaqrueedntblyy,addtihnigs 1f2l5askul waosf emaadceh uspoluwtiitohnmotobilaevophlausmeetrtiocaflfaisnka.i volume of
2F5o.r0twhle. determination Solution of formamide
o(fp.ta,
(Mreertcekn,tioDnarmtsitmaedto,f
tFRhGe) unirnetmaertdheandolcowmapsonepnrte)p,aread
Ap2hta'ssateo.csokncseonlturtiaotnionof ofT-516.774 9/w1as anpdrepthaerreedafbtyerdidsisloultveidng 10165timnges tweistthsumbosbitlaence
?
diinl'u5t0e.d0 a110 atcienteosnwitirtihlemob(i3leminpuhtasees, sorneiscualttiionng).inThtehesttoecskt ssoolluuttiioonn. was
i
Performance of the test TSThoeelfuetrsoionolcnueti(oisnnusbsdtuwapenrlceiecsai,tnej)me,ocbteimdloebiilnpehatshpeeh,asfeot,hlelotwhfieonrgmmiaxnsteiquduereenscooelf:utriteohfnee,remnitxcnteeursteeusbotsftances and the formamide solution.
Temperature of measurement mTheeasutreemmpeenrtasture of the mobile phase was recorded several times during the
- Page? -
000018
T-5878
NoTOX Project 121275
METHOD OF CHEMICAL ANALYSIS
_ Tahree cdoensdcirtiiboendsbeulsoewd: for the High Performance Liquid Chromatographic method
analysts Column Mobile phase
FlDeotwection Injection volume Instrumentation AHPuLtCosaPnupspier Detector Integrator
LdiyCehr5osupnhe(rMer1c0k0, RPD-a1r8m;sta1d2t5, xF4RG)(.D.) 78725 (viv) acetonitrile (HPLC-grade,
mn; Labscan
L(iMmii1t1eidporCeo.,CorDpu.b,linB,edfIorredl,andMA),/MiUlSAl)i-d water 1 m/min
z: &
1U0Y walt A= 210 nn
?
1Se5r5i-e2s0041(0PeLrCkin(PEernkeirn)Eimer, Norwalk, CT, USA) BSepaechc,trFoL,totUnoSirA)3100 (LOC Analytical, Riviera Sp 4290 (Spectra Physics, San Jose, CA, USA)
DATA HANDLING meres
area
eeeeeeeereet
TVUosailnutgghsisHicgaehnnd,bPeertfahocercmucaranapctaeecliytLyiqduefitadecrtomCrhirnoe(mdka'ft)roogwrnaaspthuhyse,edc,hersopsemicanitcaoelglriyatphilisacrgperroept1oe0rgnttiiPooonnyaldattao.
tTheetepnatritointioofnthceoefsfuibcsiteanntc.e cThoencecranpeacdit(ytr)facatnodrtwheasuncraeltcaurldaetdedcofrmopmonetnhte (to):
Ko (tr - tot
TvFhreeormsuTstahgeTko_greksv'yalltd(sey-voofafluteeha)echwraecsofmepcrooennnescntetr.uscuotbfesdtt,ahnecuestsie,nsagt slpiulnboestatranocfreeg1w0ragesssPiocyoonmp(aaxnr-aevladylsuweii)st.h
|
the log K values of the reference substances with known 10g Poy values.
Page -
000022
T-5874
NOTOX Project 121275
RESULTS
pRheapsree)s,enttahteivmeixtHuPrLeC cohfrormeafteorgernacmessoufbsttahencetsestandsoltuhteiofno,rmatmhiedeblasnoklut(imoonbilaere Shown in Figures 1 to 4.
pIneaktheatHP4L.C1 cmhirnoumtaetsogarnadnsa sofmalTl-58p7e4a,k autsin7g.7demtiencutteisonwearte21o0bsenrm,vedo.neBeltawregeen
t5h7e6 alnadrge4 pmienauktedse,rivseedverfarlomsmtahlel mpaejaokrscvoemrpeoneonbtserovfedt.estItswuabsstaanscseumewdhertehaast the smail(er) peaks derived from impurities.
FS
mTheeasut,remweanstsdet(ei.remin0e.d89toanbde 00..9900 mmiinnuutteess).as a mean value of both
%
T1h0eg mPeoayn&vNdaluPeosy Voaflutehse arreetenstuimomnaritzimeeds,ink'Tabvlaleue1s., Thleogplk'otvaolfue1s0,g Poy F(ixogvuarlelie5). verSis log k' (y-value) from the reference substances is shown in
Table 1 Results of the test.
[mee Tw[v[a mmm]r om]
tboelnuzeylnaelcohol
21.1244 |
0274 | 1503 |
-0.563 077
11 2.7
F1l,u4o-rdaincthhleonreobenzene | 52.6879 || 52.32239 | | 00.732478 a347
2di,b4e-n0z0y7l
29.027 | 93514%7 || 00..595603 6428
pteesatk 1substance
7.70 | 7.598 | o.ee 5.6: | 39.8 a0!
:
peak 2 (major comp.) | 4.05
several small peaks [1.6 / 4
|0.379./5235.47(-0.01.05/407.54|2.2/44..44 2
2.51108
21..5501x3110024/
+ Note
eTohkaeenrcpuvelalclauoteleadotfiofntrshoenwxetreheetenpetegireofenosrsmtieiodmnesusliionfneg:bnootyth=rc0oh.ur2no0dm0ea%dtogv-raa0lm.vs7e3s0
(120.972,
a6)
The temperature of the mobile phase was 20.2-20.6C during the measurements
- Pages -
0
1-5874 CHANNEL A
NOTOX Project 121275
INJECT 67-94-94 ARisdiSS STORED TO BIN #53
=
TST
Eavn3
7.68
#
TATA SAVED TO BI2N X# 53
i
38196/121286
G7-a4-94 GE144:55 CHE TRY PS= 1
FILE 4. METHOD &. FUN 8 INDEX 18
Bm S3
FHALYST: KRH
PERKS RRERZ
&T FRER BC
21 3
260.445535 9.125s g13a9m 6a22 figsz ea zest a2
5i 5
11gl278s82 283
eo375a3 te
siuwraasmeoesds
?8 G2.a4g7a8 Lilass w780o8 e02
f1r8o5
1iBgsee7es7
1 71 23
isvssesr 6ez3 Ses ez
i1z3 13
TLi7m1e2r ali
2msi2s ns
dsssasz e0x2 ese oz
s
1i5g 3165..44355 alleers t2e9a4v8e5r 0o23
;
7 2eia 7.63 sess at
Total 166.
282655
Figure 1 TH-P5L8C74chrinonmaotboiglreanphoafset.he test solution of 330 mg/l
coHloubmine phase DFeltoewction Injection volure
7L5i/C2h5ros(pvhievr) a10c0etRoPn-i1t8r;ile12/5MxidT41i(-IQ.D.a)temrn; dg=5 un WLm,l/antin) = 210 nm 10'u1
NTthoreto'en:ShtahTenhektpe(esotankessuFbbisegttuawrneeceen3)..0 Tanhdace1f.o6reminIuttewsaswearsesumaeldsotohabtsertvheedseipneatkhse 4c1hdromnsottogsrearsiseof
- Page 10 -
000021
T-s674
NOTOX Project 121275
CHANNEL A .
INJECT 67-64-54 a9:iiin STORED TO BIN 8 S6 I Z cS a =z
DATA SAVED TO BIN & 5w6 e
38196/121266
7-04-94 Geizaras
FILE 1. WeTWOD G9. RUN 43 INDEX 13
ANALYST: KRH
Ke AREA:
RT eRER BC
5:1 a12ms8ae5sz mmeaeass sesmerewer
35i?
s%Sm3is3
anemr mes
waessew mer
S505 naa daze ae
alse NE mem
ToL tee.
seaze
CHE SA*
PSS 4. BI 6
Figure 2 HPLC chromatogram of a blank (mobile phase).
McoobliumTne phase 7L5i/C2h5ros(pvh/ev)r s1c00etoRPn-i1t6r;ile1/2M5ix141i(-1a.0.w)atem8r; dp=5 un
DFeltoewction
WLW,m/smtin = 210 mm
Injection volume 10'41
- Page 11 -
000022
T-5874
CHANNEL A
NOTOX Project 121275
INJECT
67-84-94 A9:SA:17 STORED TO BIN & S7
=ow
we
SE.ERL@W
ES
wreaass opsamir he he Pee 4,
ar we a wm ar we
on
J
wes mem wr seenne
s1$ I ea eOImEE oOmiaumEm mBmue2Imn
TiI oEiiImhE iirrEEE O4mvnamEE
+18> m2A Sm%H II2iE Saamu"rmHsoE
E13 IREE 38.584 5rI.6gf3 2e8msg 1877239 81
|
oe sen,
sossesz
Figure 3 HPLC chronatogran of the mixture of reference substances n mobile phase. Ceiorios nase R TmoeeRtare semtotneiseci shee--n -- DI Detection cians Sutuv, at x = 210 nm
- rez -
000823
T-5874
NOTOX Project 121275
CHANEL INJECT 07-A4-54 A7ii7i4d STORED TO BIN 4 49
1.42
es7 1. 2.97 DTH SAVED TO BIN #43
-
;
ss1se121285
a7-ne-ss arivias we Ee PELL
FE 1 wemon a RN 6 NEE 6
am 4s
----
peaks aren ar mene
2E1R amiES s EmaJ s3 +eS+aema
ITPOooNeeEli. NeLBRa eEAusRBeRa
T oe CBeEa. LrrnEh aordecleaaw
F5ER E+eIEBEgE ERE
ow ase.
70599
Figure 4 HRoPbLiCtechrphoamsaet.ogran of a formamide solution of 0.2 g/1 in
Colum
pMFeotobericlteiopnhase
Injection volune
LiChrospher 100 RP-18; 125x4 (1.0.) ma; dp=5 ua
DCaetreainn 210 75/25 (v/v) acetonitrile/Mil1i-Q water
10'u1
ooouzy
rage 1s - .
13/04/94 TRI Pow
Co
:
Pooh ae
0-400 [rp Ty
0.200 [reemerged forbs]
0.000
i
i
i
i
i
0.0 1.0 2.0 3.0 4.0 5.0 6.0
log Pow
Figure 5 Plot of log Poy (x-value) versus log k' (y-value) from the
reference substances.
000025