(E)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol

Modify Date: 2025-09-23 13:36:53

(E)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol structure	Common Name	(E)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol
	CAS Number	756-91-2	Molecular Weight	388.15000
	Density	1.567g/cm3	Boiling Point	292.1ºC at 760 mmHg
	Molecular Formula	C₁₀H₈F₁₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	130.5ºC

Name	(E)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol
Synonym	More Synonyms

Density	1.567g/cm3
Boiling Point	292.1ºC at 760 mmHg
Molecular Formula	C₁₀H₈F₁₂O₂
Molecular Weight	388.15000
Flash Point	130.5ºC
Exact Mass	388.03300
PSA	40.46000
LogP	4.03420
Index of Refraction	1.348
InChIKey	PTHJGFDUQRGSRD-DUXPYHPUSA-N
SMILES	CC(=CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB2160000

CHEMICAL NAME :: 3-Penten-1,5-diol, 3-methyl-1,1,5,5-tetrakis(trifluoromethyl)-

CAS REGISTRY NUMBER :: 756-91-2

LAST UPDATED :: 199012

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H8-F12-O2

MOLECULAR WEIGHT :: 388.18

WISWESSER LINE NOTATION :: FXFFXQXFFFYU1&1XQXFFFXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,4,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 141 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,4,1976

Hexafluoroacetone

CAS#:684-16-2

Isobutylene

CAS#:115-11-7

(E)-1,1,1,7,7,7...

CAS#:756-91-2

Literature: Breyta, Gregory; DiPietro, Richard Anthony; Dawson, Daniel Joseph Patent: US2005/124827 A1, 2005 ; Location in patent: Page/Page column 14 ;

1,1,1-trifluoro...

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Hexafluoroacetone

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(E)-1,1,1,7,7,7...

CAS#:756-91-2

Literature: Gambaryan,N.P. et al. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1965 , p. 1425 - 1427 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1965 , # 8 p. 1466 - 1469

1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis-trifluoromethyl-hept-3-ene-2,6-diol

1.1.1.7.7.7-Hexafluor-4-methyl-2.6-bis-trifluormethyl-hept-3-en-2.6-diol

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(E)-1,1,1,7,7,7-hexafluoro-4-methyl-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol

Names

Chemical & Physical Properties

Toxicological Information