Case #: P-01-0320 

### DCN: SAT Date: 211 6/01 SAT Chair: V Nabholz f S u bmitter : 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 C 

### Role ase
I 

### I 

## Ii STRUCTURE ACTIVITY 

### TEAM REPORT 16 February 2001 CBI CASE NUMBER: Pol-0320
F
A ..-..--*-- RELATED CASES 1
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;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


# 3i
* I
1
i h.c?ad 

### space; and TOC ~2.0 

### mg/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

# 7I I :- I:hemica1 Name: Propane, l11,1,2,2,3,3-heptafluoro-3-rnethoxyStructure:

L

F 'F

Jse:
.O%: Heat transfer fluid

I 0 O/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.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 r ga ni *z

s Srganics .’ Or Tanics 3rqanizs “g3r.izs

r gar. i .= s 2 r gzl?:i z s

. ?:zte: * = asterick icalzulatedj

.-,­ : Fish yo-hr : Fish 14-day : Daphnid 4 8-hr : : : : : : : Green Algae 36-hr

Fish’ 3Q-day Daphnid 16-day Green Algae 96-hr

-,- Fish ISW) Yo-hr Wysid Shrimp 36-hr Earthworm 1 4 - 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 -.~ten algal ~t5b toxicity log ~ow ,- cutoff: 6.4 Ztr-nic toxicity log Ksw cutoff: 3.0 :.?? z,,it=rff: it?dl3---------- --________ + - - - - - - +--- 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 -1
a 320 0 . 780 3.681 -1.293 

# I I 2.790 ENTER to continue



### ... Press

7 F and 0 non-F fragments; 6 used. 1.539 2 F and 0 non-F interactions. 0
. 3 0 0 Effect for Y-fragment # 8 ! 1.3.23

' Press ENTER to contiEcz

...



# 13

### OPPT STRUCTURE 

### ACTIVITY TEAM (SAT) MEETING DATE 

### FEB 16

ATT E r\T DE 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 CHAI RPERSON/OTHBR Rebecca Jones

eonard Keifer 

# -2

- Vince Nabholz SIGNATURE