1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol

Basic Information

View in Editor

CAS Number

646-97-9

Molecular Formula

C6H6F6O

Molecular Weight

208.1 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

100°C

Density

1.36

Flash Point

26 °C

Refractive Index

1.3320 to 1.3360

SMILES

View in Editor

C=CCC(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2

InChIKey

VHSCQANAKTXZTG-UHFFFAOYSA-N

LogP

2.4182000000000006

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

176

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Class LACHRYMATOR Class LACHRYMATOR

Synonyms & References

English

1,1,1-trifluoro-2-trifluoromethyl-4-penten-2-ol
FS-4390
D95295
A834855
NS00125974
J-503694
FT-0610995
DTXSID40316970
1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol
allylhexafluoroisopropanol
1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol #
1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
allylhexafluoro-isopropanol
T2968
SCHEMBL239594
MFCD03092986
4,4-bis (trifluoromethyl)-4-hydroxy-1-butene
NSC309805
4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
AMY6825
2-allylhexafluoroisopropanol
4,4-bis(trifluoromethyl)-4-hydroxy-1-butene
1,1-bis (trifluoromethyl) -3-butenol
1,1,1-trifluoro-2-trifluoromethyl-pent-4-ene-2-ol
1,1-bis(trifluoromethyl)-3-butenol
BTHB
AKOS005063354
2-(allyl)hexafluoroisopropanol
NSC-309805
4-Penten-2-ol,1,1-trifluoro-2-(trifluoromethyl)-
646-97-9

MDL Number

MFCD03092986

Customs Code

2905590090

FAQ

What regulatory guidelines apply to 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9)?

The compound 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9) falls under the scope of various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the US. It is classified as a hazardous chemical due to its flammability and potential for skin and eye irritation. Compliance with these guidelines is essential for its safe handling, storage, and transportation.

Are there alternatives to 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9) in synthesis?

There are several alternatives to 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9) in synthesis, such as isomers 1,1,1-trifluoro-2-(trifluoromethyl)-3-penten-2-ol and analogs like 1,1,1-trifluoro-2-(trifluoromethyl)-5-penten-2-ol. Common alternative reagents include trifluoromethylated alcohols and similar fluoroalkylated compounds. These alternatives can serve similar functions but may have different reactivity and boiling points.

What is the market or research trend for 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9)?

The market for 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9) is driven by its applications in pharmaceuticals, agrochemicals, and as a precursor in organic synthesis. Research trends focus on its use in developing new drug molecules and as a versatile reagent in synthetic chemistry. Despite its hazardous nature, there is ongoing interest due to its unique chemical properties and potential in various industries.

How should waste containing 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9) be handled?

Waste containing 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol (CAS: 646-97-9) should be collected in appropriate containers lined with secondary containment to prevent leaks. Proper incineration or professional chemical waste disposal services should be used for disposal. Environmental protection precautions include ensuring no discharge into water sources and following local regulations for hazardous waste management. Safe handling and disposal are critical to prevent environmental and health hazards.