| Identification | More | [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 Properties | Back 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.)
| [vapor pressure ]
33 hPa ( 20 °C) | [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 | [Henry's Law Constant]
4.3×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Dielectric constant]
12.8（17℃） | [InChI]
1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 | [InChIKey]
PJGSXYOJTGTZAV-UHFFFAOYSA-N | [SMILES]
O=C(C(C)(C)C)C | [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 Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H225-H302 | [Precautionary statements ]
P210-P301+P312+P330 | [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 | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29141990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 2 | [Hazardous Substances Data]
75-97-8(Hazardous Substances Data) |
| Hazard Information | Back 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.
 | [Purification Methods]
Reflux the ketone with a little KMnO4. Dry it with CaSO4 and distil it. [Beilstein 1 IV 3310.] |
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