Hexafluoroacetone sesquihydrate
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Names
[ CAS No. ]:
13098-39-0
[ Name ]:
Hexafluoroacetone sesquihydrate
[Synonym ]:
Hexafluoro-2-propanone sesquihydrate
MFCD00149063
2-Propanone,hexafluoro-,sesquihydrate
1,1,1,3,3,3-Hexafluoroacetone sesquihydrate
Hexafluoroacetone 1.5-hydrate
Acetone,hexafluoro-,sesquihydrate
Hexafluoroacetone sesquihydrate
Chemical & Physical Properties
[ Density]:
1.496g/cm3
[ Boiling Point ]:
234.3ºC at 760mmHg
[ Melting Point ]:
10ºC
[ Molecular Formula ]:
C6H6F12O5
[ Molecular Weight ]:
386.09000
[ Flash Point ]:
104.3ºC
[ Exact Mass ]:
386.00200
[ PSA ]:
61.83000
[ LogP ]:
3.16730
[ Vapour Pressure ]:
5010mmHg at 25°C
[ Stability ]:
Stable. Reacts with DMSO.
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UC2660000
- CHEMICAL NAME :
- 2-Propanone, hexafluoro-, sesquihydrate
- CAS REGISTRY NUMBER :
- 13098-39-0
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C3-F6-O.3/2H2-O
- MOLECULAR WEIGHT :
- 193.06
- WISWESSER LINE NOTATION :
- FXFFVXFFF 2 &QH 3
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 670 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 21,149,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03172 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2600 mg/kg/2W-I
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Blood - changes in bone marrow (not otherwise specified) Related to Chronic Data - death
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555368 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 1820 mg/kg
- SEX/DURATION :
- male 14 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 68,188,1983
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 1820 mg/kg
- SEX/DURATION :
- male 14 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - other effects on male
- REFERENCE :
- TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 4,135,1984
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- DOSE :
- 546 mg/kg
- SEX/DURATION :
- male 14 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
- REFERENCE :
- EXMPA6 Experimental and Molecular Pathology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1962- Volume(issue)/page/year: 40,29,1984
Safety Information
[ Hazard Codes ]:
Xi,T
[ Risk Phrases ]:
R24/25
[ Safety Phrases ]:
S36-S45
[ RIDADR ]:
UN 2552
[ RTECS ]:
UC2660000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1(a)