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Name	1,1,1,5,5,5-Hexafluoropentane-2,4-dione	EINECS	216-191-0
CAS No.	1522-22-1	Density	1.506 g/cm³
PSA	34.14000	LogP	1.63930
Solubility	Not miscible in water.	Melting Point	N/A
Formula	C₅H₂F₆O₂	Boiling Point	70 °C at 760 mmHg
Molecular Weight	208.06	Flash Point	30.8 °C
Transport Information	UN 2920 8/PG 2	Appearance	clear colorless to slightly yellow liquid
Safety	26-36/37/39-45	Risk Codes	10-20/21/22-34
Molecular Structure		Hazard Symbols	C, F, Xi
Synonyms	1,1,1,5,5,5-Hexafluoro-2,4-pentandione;1,1,1,5,5,5-Hexafluoro-2,4-pentanedione;1,1,1,5,5,5-Hexafluoroacetylacetone;1,3-Bis(trifluoromethyl)propane-1,3-dione;Hexafluoro-2,4-pentanedione;Hexafluoroacetylacetone;	Article Data	13

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Synthetic route

: 1,1,1,5,5,5-hexafluoro-3-pentyn-2-one trimethylsilylethyl ketal

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
With sulfuric acid In tetrahydrofuran; water at 40 - 50℃; for 7.5h;	93%

: 69962-11-4
1,1,1,5,5,5-hexafluoro-3-trifluoromethyl-pentane-2,4-dione

A: 400-49-7
trifluoromethyl 2,2,2-trifluororethyl ketone

B: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

C: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With water 1.) 20 deg C, 7 d, 2.) 100 - 110 deg C, 70 h; Title compound not separated from byproducts;

: 69962-11-4
1,1,1,5,5,5-hexafluoro-3-trifluoromethyl-pentane-2,4-dione

A: 400-49-7
trifluoromethyl 2,2,2-trifluororethyl ketone

B: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

C: trifluoroperacetic acid

D: 1,1-bis(trifluoroacetyl)-2,2,2-trifluoroethane monohydrate

E: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With water at 20℃; for 168h; Product distribution; other temp., other time;

...Expand

: 72721-52-9
1,1,1,5,5,5-hexafluoro-3-trifluoroacetyl-pentane-2,4-dione

A: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

B: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With water Title compound not separated from byproducts;

: 72721-52-9
1,1,1,5,5,5-hexafluoro-3-trifluoroacetyl-pentane-2,4-dione

A: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

B: 1,1,1,5,5,5-hexafluoro-3-trifluoroacetyl-pentane-2,4-dione enol tautomer

C: 76-05-1
trifluoroacetic acid

Conditions

Conditions	Yield
With sulfuric acid; phosphorus pentoxide at 20℃; Product distribution; effect of temp. on keto-enol equilibrium;

: 428-75-1
bis(gem-diol) 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
With sulfuric acid In toluene at 80℃;
With sulfuric acid In tert-butyl methyl ether; toluene at 20℃; for 5h;
With sulfuric acid In tetrahydrofuran; toluene at 20℃; for 5h;

: 421-50-1
1,1,1-trifluoro-2-propanone

: 383-63-1
ethyl trifluoroacetate,

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: (hexafluoroacetylacetonato)(1,5-cyclooctadiene)rhodium(I)

: 326-06-7
1-Phenyl-4,4,4-trifluorobutane-1,3-dione

A: (trifluorobenzoylacetonato)(1,5-cyclooctadiene)rhodium(I)

B: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
In Petroleum ether Kinetics; React. in the temp. range from 14.8-24.8°C (10-fold excess TFBA).; Monitoring by UV.;

: 661-54-1
3,3,3-trifluoroprop-1-yne

: 383-63-1
ethyl trifluoroacetate,

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

Conditions

Conditions	Yield
Stage #1: 3,3,3-trifluoroprop-1-yne With n-butyllithium In n-heptane; tert-butyl methyl ether at -103 - -28℃; Inert atmosphere; Large scale; Stage #2: ethyl trifluoroacetate, In n-heptane; tert-butyl methyl ether at -38 - -30℃; for 2h; Inert atmosphere; Large scale; Further stages;	2.6 kg
Stage #1: 3,3,3-trifluoroprop-1-yne With n-butyllithium In tetrahydrofuran; hexane at -30℃; for 0.25h; Inert atmosphere; Stage #2: ethyl trifluoroacetate, In tetrahydrofuran; hexane at -30℃; for 2h; Inert atmosphere; Stage #3: With sulfuric acid In tetrahydrofuran at 10℃; for 3.58h;	2.7 g

: ferric hydroxide

: 1522-22-1
1,1,1,5,5,5-hexafluoroacetylacetone

: Fe(hexafluoropentanedionate)3

Conditions

Conditions	Yield
boat with starting metal compound placed in apparatus for thermoradiometric studies, Ar saturated at 50°C with HHFA, flow rate 0.5-2l/h, temp. rise 4°C/min, duration 50min; sublimation;	100%

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Chemical Properties

Molecular Structure:

Molecular Formula: C₅H₂F₆O₂
Molecular Weight: 208.0586
IUPAC Name: 1,1,1,5,5,5-Hexafluoropentane-2,4-dione
Synonyms of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): 1,1,1,5,5,5-Hexafluoroacetylacetone ; EINECS 216-191-0 ; Hexafluoroacetylacetone ; 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-
CAS NO: 1522-22-1
Product Categories: Halogen compounds
Index of Refraction: 1.304
Molar Refractivity: 26.18 cm³
Molar Volume: 138 cm³
Surface Tension: 19 dyne/cm
Density: 1.506 g/cm³
Flash Point: 30.8 °C
Enthalpy of Vaporization: 31.16 kJ/mol
Boiling Point: 70 °C at 760 mmHg
Vapour Pressure of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): 131 mmHg at 25°C

1,1,1,5,5,5-Hexafluoropentane-2,4-dione Safety Profile

Hazard Codes of 1,1,1,5,5,5-Hexafluoropentane-2,4-dione (CAS NO.1522-22-1): Corrosive C,F, Irritant Xi
Risk Statements: 10-20/21/22-34
R10: Flammable.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R34: Causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2920 8/PG 2
WGK Germany: 3
F: 3
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 8
PackingGroup: II

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