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469548

Sigma-Aldrich

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

98%

Synonym(s):

PTA, Pivaloyltrifluoroacetone

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About This Item

Linear Formula:
(CH3)3CCOCH2COCF3
CAS Number:
22767-90-4
Molecular Weight:
196.17
EC Number:
245-211-0
MDL number:
MFCD00040841
UNSPSC Code:
12352100
PubChem Substance ID:
24870464
NACRES:
NA.22

Quality Level

200

Assay

98%

refractive index

n20/D 1.407 (lit.)

bp

138-141 °C (lit.)

density

1.129 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)C(=O)CC(=O)C(F)(F)F

InChI

1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3

InChI key

BVPKYBMUQDZTJH-UHFFFAOYSA-N

Gene Information

mouse ... Mtap(66902)

Related Categories

General description

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a 1,3-diketone. It forms Er(3+) complexes. These complexes shows thermally activated slow relaxation of magnetization under a zero direct-current (DC) field.

Application

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) may be used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It may be used in the synthesis of octahedral Werner-type cobalt(II) complexes. It was used in the preparation of D2-TFDMHD, by mixing with D2O.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

105.8 °F - closed cup

Flash Point(C)

41 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Conformation, molecular structure, and intramolecular hydrogen bonding of 1, 1, 1-trifluoro-5, 5-dimethyl-2, 4-hexanedione.
Vakili M, et al.
Journal of Molecular Structure, 1021, 102-111 (2012)
Anne Baker et al.
Clinical rehabilitation, 31(1), 45-60 (2016-03-25)
To identify factors reported with negative and positive outcomes for caregivers of the traumatic brain injury and spinal cord injury cohorts, to investigate what interventions have been studied to support carers and to report what effectiveness has been found. Scoping
M Ramos Silva et al.
Dalton transactions (Cambridge, England : 2003), 44(3), 1264-1272 (2014-11-22)
The magnetic properties of two similar Er(3+) complexes have been investigated. [Er(tpm)3(bipy)] (Htpm = 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione and bipy = 2,2'-bipyridine) displays thermally activated slow relaxation of magnetisation under a zero direct-current (DC) field. Under an applied HDC field of 1000 G
Ippei Inoue et al.
Journal of bioscience and bioengineering, 122(5), 528-532 (2016-10-26)
We have developed an easy and rapid screening method of peptide aptamers with high affinity for a target material TiO2 using M13 phage-display and panning procedure. In a selection step, the phage-substrate complexes and Escherichia coli cells were directly applied
Jonas Ellegaard Nielsen et al.
Biomedicines, 8(7) (2020-07-11)
Easily accessible biomarkers for Alzheimer's dementia (AD) are lacking and established clinical markers are limited in applicability. Blood is a common biofluid for biomarker discoveries, and extracellular vesicles (EVs) may provide a matrix for exploring AD related biomarkers. Thus, we
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