Case #: P-01-0320 DCN: 

SAT Date: 211 6/01 SAT Chair: V Nabholz 

f 

Submitter: 3M Company ________._ ____ - -___ -__- . 

Chemical Name: 

Propane, 1,1,1,2,2,3,3-heptafluoro-3-methoxy­

.. 

CAS RN: I Trade Name: 

375-03-1 None 

Structure 

‘ < 

FFF EPA SANITIZED’ 

F+O/ 

F‘ ‘F 

Wolecular Formula: 

Molecular Wt. 

USE: 

40% Heat transfer fluid 

Case Role 

I 

I I 

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i STRUCTURE ACTIVITY TEAM REPORT 16 February 2001 CBI 

CASE NUMBER: Pol-0320 F 

A ..-..--*--

RELATED CASES1 

CONCLUSIONS/DISCUSSIONS 

TYPE OF CONCERN: ECOTOX 

LEVEL OF CONCERN: 1-2 2 

KEYWORDS : J~ARDIO,DEVEL, LIVER, KIDNEY, NEURO, AQUATOX-A ,C, 

SOLVENT-NEURO, ONCO 

SUMMARY OF ASSESSMENT: 

FATE: MW200; 

liquid with mp = -114 C (P);

Log Kow = 2.5 (ClogP), 3.0 (SRC);

S < 50 mg/L at 25 C (M);

H = 1.9E-1 (P);

bp = 33 C (M); 

vp = 403 mm Hg or torr at 25 C (M);

log Koc = 2.1 (E); 

log fish BCF = 1.8 (E);

POTW removal = 90 to 99 via stripping;

time for complete ultimate aerobic biodegradation > months; 

sorption to soils and sediments = low; 

PBT Potential: P3BlT2 ; 

volatilization half-life from rivers = 1.0 h and from lakes = 6.0 

d;

atmospheric oxidation half-life via OH radical = about 1 year 

(P);

*CEB FATE: migration to ground water = moderate; 

HEALTH: Absorption good all routes based on analogs; 

submitted test data were: 

rat acute oral LDO = 2.0 g/kg with no significant toxic signs; 

rat 30-d inhalation (6 h/d 5 d/wk over 30 d) LOAEL (lowest dose 

tested) = 1000 ppfi=1770 mg/kg/d with effects to liver (increases

in absolute and relative [organ/body] liver weights in males in 

all treated groups, hepatocyte hypertrophy in males in all 

treated groups, and peroxisome proliferation in the liver of both 

sexes [strong response in males] in all treated groups), effects 

to kidneys, reduced body weight gain, reduced food intake, and 

effects to red blodd cells (reviwed by RAD);

mild and transient (1 d) eye irritation in rabbits; 

no skin irritation in rabbits; 

guinea pig 10-d inhalation metabolism study at 10 000 ppm, 6 hjd 

for 10 d showed metabolism of the PMN chemical via the presence

of F ion in the blood; 

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test data for the perFC4 analog, were: 

rat acute oral LDO = 5.0 g/kg with no toxic signs; 

rat acute inhalation (nose-only/4 h) LCO = 10 100 ppm with np

significant toxic signs; 

rat acute inhalation (nose-only/4 h) LCO = 10 450 ppm with rapid

respiration and increased salivation; 

no skin irritation in rabbits; 

slight and transient (1 d) eye irritation in rabbits; 

no skin sensitization in guinea pigs (B);

Ames test was negative;

chromosome aberration test with CHL cells was negative; 

mouse micronucleus (ip) test was negative: 

rat 28-d inhalation (vapor, 6 h/d, 5 d/wk for 4 weeks) NOAEL = 

1500 ppm=2438 mg/kg/d, LOAEL = 3000 ppm=4876 mg/kg/d based on 

liver toxicity; 

rat 90-d inhalation (vapor, 6 h/d, 5 d/wk for 13 weeks) NOAEL = 

7533 ppm=76 867 mg/m3=21 413 mg/kg/d, LOAEL = 15 159,ppm=154 683 

mg/m=43 090 mg/kg/d based on liver toxicity;

dog cardiac sensitization (gas-nose only) at 10% NOAEL = 1020 

g/m3 ; 

rat developmental toxicity test via inhalation (vapor-6 h/d, GD 6 

to 19) NOAEL (highest dose tested) = 30 000 ppm for fetal and 

maternal effects; 

rat developmental toxicity test via inhalation: fetal NOAEL = 

7500 ppm, fetal LOAEL = 15 000 ppm; maternal NOAEL = 15 000 ppm

(highest dose tested); 

concern for cardiosensitization and developmental toxicity based 

on analogs and PMN is lower MW than 

concern for liver and kidney toxicity based on test data; PMN is 

* appears to be more toxic thanf-- .when rat 28-d inhalation 

LOAELs are compared; 

concern for liver cancer based on the presence of peroxisome

proliferation in the liver’of both sexes in all doses in the rat 

30-d inhalation study; 

concern for possible neurotoxicity, i.e., CNS, based on other 

solvents: 4 

low-moderate concern for toxicity

*CEB HEALTH: Exposures to humans: inhalation, dermal, 

ingestion, and drinking water; 

ECOTOX: Predicted;(P) and measured (M) toxicity values in mg/L

(ppm) are: 

fish 96-h LC50 -- 56.0 P 

daphnid 48-h LC50 -- 62.0 P 

green algal 96-h EC50 -- 40.0 P 

fish Chronic Value (ChV) = 7.8 P

daphnid ChV 7 - 3.9 P - algal ChV - 5.2 P 

Predictions based on SARs for neutral organic chemicals; SAR 

chemical class = ether-perFC3/Cl; MW200; log Kow = 2.5 (ClogP), 

pH 7, hardness <180.0 mg/L as CaC03, ECs based on 100% active 

ingredients, mean measured concentrations, closed system with no 

3 

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i 

* I 

1 

i h.c?ad space; and TOC ~2.0mg/L; 

?,?oderate concern for toxicity; 

concern concentration (CC) = 0.400 

*CEB ECOTOX: All releases to surface waters; 

'?. co-chair: Vince Nabholz, 260-1271 

Y 

Y 

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7 

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I I :-

I 

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:hemica1 Name: 

Propane, l11,1,2,2,3,3-heptafluoro-3-rnethoxyStructure: 

L 

F 'F 

Jse: 

.O%: Heat transfer fluid 

I0O/O : Refrigerant 

. I 

laphnid 

-ormula: .C4H3F70 

dol Weiaht: Wt%~1000 

d P: I IBP: 33.001 IVP: 

Endpoint (mg/L) Est. Value Meas. Value Comments 

-ish 96-h 56 . . 

48-h I c2 I 

3aphnid ChV 3 3 

4lgal ChV 5*2 

ZCOTOX CONCERN H CONCERN CONCENTRATION 

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.I ., . , . .,.. !!I 1 

I* , = , 

F 

F ,,,’ 

0 -._ 

F ,’// 

/‘

/..’ 

F 

F /”F 

SNILZS : SC(F) iF!C(?l (F)C(F)(F)OC 

ZHEM : 

2.33 Xum: 

Zhemi D 1: 

ChemIS2 : 

ZhemID3 : P 

MOL FCR: C4 33 F? 31 

KOL WT : 200.06 

Log Kcw: 2.45 (User entered) 

Melt Pt: 25.00 2eg C 

:?]at Sol: 1511 mg/i 

9rganics 

Organics 

Grganics . 

0 rgani *zs 

Srganics .’ 

Or Tanics 

3rqanizs 

“g3r.izs 

rgar. i.=s 

2rgzl?:i z s 

. ?:zte: * = asterick 

icalzulatedj 

.-,­ : Fish yo-hr 

: Fish 14-day 

: Daphnid 48-hr 

: 

: 

: 

: 

: 

: 

: 

Green Algae 36-hr 

Fish’ 3Q-day 

Daphnid 16-day 

Green Algae 96-hr 

-,- Fish ISW) Yo-hr 

Wysid Shrimp 36-hr 

Earthworm 14 -da :J 

designates: Chemical may n=t be soluble 

ensugh to measure this predicted effect. 

’Ish and daphnid acute toxicity log Kow cutoff: 5.3 

-.~tenalgal ~t5btoxicity log ~ow ,- cutoff: 6.4 

Ztr-nic toxicity log Ksw cutoff: 3.0 

:.?? z,,it=rff: it?dl3 

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---------- 

--________ + - - - - - - +---

Class I Type I +------ +--­

.................................. 

Contribution Description .................... --------_-____ 

FRAGMENT 

FRAGMENT 

FRAGMENT 

FRAGMENT 

FRAGMENT 

FRAGMENT 

FRAGMENT 

FRAGMENT 

ISOLATING 

EXFRAGMENT 

EXFRAGMENT 

PROXIMITY 

PROXIMITY 

PROXIMITY 

PROXIMITY 

I #l 

#2 

#3 

#4 

#S 

#6 

#7 

#a 

CARBON 

HYDROG 

BONDS 

x-c-x 

Fluoride 

Fluoride 

Fluoride 

Fluoride 

Fluoride 

Fluoride 

Fluoride 

Ether 

Aliphatic isolating carbon(s)

Hydrogen(s) on isolating carbons 

chain and 0 alicyclic (net)

interacting fragments 

MEASURED -3.39Q

MEASURED -0.3ao 

MEASURED -0,380

MEASURED -0.380 

MEASURED -3.330 

MEASURED -1a 320 

0 .780 

3.681 

-1.293

ENTER I to continue I 2.790 ... Press 

7 F and 0 non-F fragments; 6 used. 1.539 

2 F and 0 non-F interactions. 0 . 300

Effect for Y-fragment # 8 ! 1.3.23 

' 

Press ENTER to contiEcz ... 

13 

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OPPT STRUCTURE ACTIVITY TEAM (SAT) MEETING DATE FEB 16 

ATT E r\TDE ES 

CHEMISTRY 

Paul Bickart 

Diana Darling

J Rich Engler 

Greg Fritz 

Daniel Lh 

Kathy Schechter 

ENVIRONMENTAL FATE 

-Bob Boethling 

avid Lynch 

Gary Thom 

HEALTH 

-Katherine Anito le -Michael Cimino 

Ilda McKenna 

eonard Keifer 

avid Lai 

-Jim Murphy 

-Deborah Norris 

--onald Ward 

-Yin Tak Woo 

ENVIRONMENTAL EFFECTS 

/Gordon Cash 

-Vince Nabholz 

-Maggie Wilson 

SAT CHAIRPERSON/OTHBR 

Rebecca Jones 

-2eonard Keifer-Vince Nabholz 

SIGNATURE 

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