3-METHYL-2,4-PENTANEDIONE

[ Density]:
0.981 g/mL at 25 °C(lit.)

[ Boiling Point ]:
172-174 °C(lit.)

[ Melting Point ]:
190 - 191ºC

[ Molecular Formula ]:
C₆H₁₀O₂

[ Molecular Weight ]:
114.14200

[ Flash Point ]:
134 °F

[ Exact Mass ]:
114.06800

[ PSA ]:
34.14000

[ LogP ]:
0.80050

[ Index of Refraction ]:
n20/D 1.442(lit.)

Click to get detail MSDS

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
UN 1224 3/PG 3

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2914190090

Click to get detail synthetic route

Precursor

DownStream

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

J. Med. Chem. 54 , 591-602, (2011)

Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced...

Chemiluminescent aldehyde and beta-diketone reactions promoted by peroxynitrite.

Chem. Res. Toxicol. 13(5) , 317-26, (2000)

Peroxynitrite is shown here to promote the aerobic oxidation of isobutanal (IBAL) and 3-methyl-2,4-pentanedione (MP) in a pH 7.2 phosphate buffer into acetone plus formate and biacetyl plus acetate, r...

Rate coefficients for the reactions of OH radicals with the keto/enol tautomers of 2, 4-pentanedione and 3-methyl-2, 4-pentanedione, allyl alcohol and methyl vinyl ketone using the enols and methyl nitrite as photolytic sources of OH. Holloway A-L, et al.

J. Photochem. Photobiol. A: Chem. 176(1) , 183-90, (2005)

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