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ChemicalBook--->CAS DataBase List--->75-97-8

75-97-8

75-97-8 Structure

75-97-8 Structure
IdentificationMore
[Name]

Pinacolone
[CAS]

75-97-8
[Synonyms]

1,1,1-TRIMETHYLACETONE
3,3-DIMETHYL-2-BUTANONE
3,3-DIMETHYLBUTAN-2-ONE
AKOS BBS-00004455
ALPHA,ALPHA,ALPHA-TRIMETHYLACETONE
METHYL TERT-BUTYL KETONE
PINACOLIN
PINACOLONE
TERT-BUTYL METHYL KETONE
1,1-Dimethylethyl methyl ketone
1,1-Dimethylethylmethylketone
2,2-Dimethyl-3-butanon
2,2-Dimethyl-3-butanone
2,2-Dimethylbutanone
2-Butanone,3,3-dimethyl-
3,3-dimethyl-2-butanon
3,3-Dimethylbutanone
3,3-dimethylbutanone-2
dimethyl-3,3butanone-2
Ketone, t-butyl methyl
[EINECS(EC#)]

200-920-4
[Molecular Formula]

C6H12O
[MDL Number]

MFCD00008846
[Molecular Weight]

100.16
[MOL File]

75-97-8.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid with camphor-like or peppermint-like odour
[Melting point ]

-52.5 °C
[Boiling point ]

106 °C(lit.)
[density ]

0.801 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.396(lit.)
[Fp ]

75 °F
[storage temp. ]

Flammables area
[solubility ]

19g/l
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Odor]

ethereal-minty-camphoraceous,warm-sweet odor
[Stability:]

Stable. Incompatible with strong oxidizing agents. Flammable.
[Odor Threshold]

0.043ppm
[Water Solubility ]

2.44 g/100 mL (15 ºC)
[Merck ]

14,7440
[BRN ]

1209331
[Dielectric constant]

12.8(17℃)
[InChIKey]

PJGSXYOJTGTZAV-UHFFFAOYSA-N
[CAS DataBase Reference]

75-97-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butanone, 3,3-dimethyl-(75-97-8)
[EPA Substance Registry System]

75-97-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,Xi
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
R10:Flammable.
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S20/21:When using, do not eat, drink or smoke .
[RIDADR ]

UN 1224 3/PG 2
[WGK Germany ]

2
[RTECS ]

EL7700000
[Hazard Note ]

Irritant/Highly Flammable
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29141990
[Hazardous Substances Data]

75-97-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Methyl-1-butanol-->2-Methyl-2-butanol-->Pinacol-->3-Methyl-1-butene-->1,3-DIOXANE
[Preparation Products]

Triadimefon-->5-TERT-BUTYL-4-HYDROXYMETHYL-2-METHYL-FURAN-3-CARBOXYLIC ACID-->3-(TERT-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE-->Paclobutrazol-->2-AMINO-6-T-BUTYL-4-(TRIFLUOROMETHYL)PYRIMIDINE-->5-(TERT-BUTYL)-2-METHYLFURAN-3-CARBONYL CHLORIDE-->3-(TERT-BUTYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID-->Metribuzin-->3-AMINO-5-(TERT-BUTYL)THIOPHENE-2-CARBOXAMIDE-->2,2,6,6-Tetramethyl-3,5-heptanedione-->METHYL 3-AMINO-5-(TERT-BUTYL)THIOPHENE-2-CARBOXYLATE-->Diclobutrazol-->(1,2,2-TRIMETHYL-PROPYL)-HYDRAZINE-->Paclobutrazol W.P.-->Bitertanol-->UNICONAZOLE-->Triapenthenol-->3-Tert-butyl-1H-pyrazole-5-carboxamide ,97%-->3-CHLORO-4,4-DIMETHYLPENT-2-ENENITRILE-->1-Bromopinacolone-->5-TERT-BUTYL-1H-PYRAZOLE-3-CARBOXYLIC ACID-->Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate-->3-(tert-Butyl)-1H-pyrazole-5-carbohydrazide-->Tebuconazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,3-Dimethyl-2-butanone(75-97-8).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid with camphor-like or peppermint-like odour
[Uses]

Pinacolone is a precursor to triazolylpinacolone, triadimefon, paclobutrazol, uniconazole and metribuzin. Furthermore, it acts as an intermediate for biologically active products such as antibacterial, antifungal, antiviral and antituberculous products. It is an important ketone in organic chemistry and participates in condensation, hydrogenation and reductive amination reactions.
[Preparation]

Pinacolone is prepared by distillation of Pinacolhydrate with diluted Sulfuric acid.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 88, p. 5656, 1966 DOI: 10.1021/ja00975a058
Organic Syntheses, Coll. Vol. 1, p. 462, 1941
Tetrahedron Letters, 30, p. 945, 1989
[Synthesis]

3,3-Dimethyl-2-butanone can be produced by the following routes: Hydrolysis of 4,4,5-trimethyl-1,3-dioxane, the product of the Prins reaction of isoprene with formaldehyde.
3,3-Dimethyl-2-butanone synthesis
[Purification Methods]

Reflux the ketone with a little KMnO4. Dry it with CaSO4 and distil it. [Beilstein 1 IV 3310.]
Spectrum DetailBack Directory
[Spectrum Detail]

Pinacolone(75-97-8)MS
Pinacolone(75-97-8)1HNMR
Pinacolone(75-97-8)13CNMR
Pinacolone(75-97-8)IR1
Pinacolone(75-97-8)IR2
Pinacolone(75-97-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pinacolone,96%(75-97-8)
[Alfa Aesar]

Pinacolone, 97%(75-97-8)
[Sigma Aldrich]

75-97-8(sigmaaldrich)
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