3-METHYL-2,4-PENTANEDIONE

Names

[ CAS No. ]:
815-57-6

[ Name ]:
3-METHYL-2,4-PENTANEDIONE

[Synonym ]:
3-methylpentane-2,4-dione
EINECS 212-420-3
MFCD00008762

Chemical & Physical Properties

[ 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.)

MSDS

Safety Information

[ 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,4-Pentandione
methyl iodide
Formaldehyde
hexylene glycol
2-Pentanone, 4-hydroxy-3-methyl-, (R*,S*)- (9CI)
Dimethyl sulfate
1-methylprop-1-enyl acetate
bf3

DownStream

1,3,4,5-Tetramethyl-1H-pyrazole
3-Penten-2-one, 4-amino-3-methyl- (7CI,8CI,9CI)
3-Methyl-2-pentanone
2-Pentanone, 4-hydroxy-3-methyl-, (R*,S*)- (9CI)
3,4,5-Trimethyl-1H-pyrazole
[4-(2-acetyl-2-methyl-3-oxobutyl)phenyl] acetate
Atraric acid
4-HYDROXY-5,6-DIMETHYL-2H-PYRAN-2-ONE
Pyrimidine, tetramethyl- (8CI,9CI)
2-Hexanone, 3,4-dimethyl-

Customs

[ 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%

Articles

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)

3-methyl-2,4-pentanedione
3-Fluoro-3-methyl-2,4-pentanedione
3-hydroxy-3-methyl-2,4-pentanedione
1,3-Difluoro-3-methyl-2,4-pentanedione
3-methyl-2-(4-morpholin-4-yl-4-oxobutoxy)-4-propoxybenzaldehyde
3-methyl-2,4,6-trinitro-benzoic acid
2-Phenyl[1,2,4]triazolo[1,5-c]pyrimidine-7,8-diamine
3-(3-Chloropyrazinyl)-1-methyl-3-piperidinol
Ethyltrifluoromethylaminoindane
4-(Quinolin-4-yl)butan-1-amine
1-(3-Methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
ethyl 6,7,8,9-tetrahydro-5-oxo-5H-benzocycloheptene-6-carboxylate
methyl (2Z)-2-azido-3-(2-methoxyphenyl)acrylate
Indolo[1,2-a]quinoxalin-6(5H)-one
3-Amino-4-formyl-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid amide
N-[cyano(phenyl)methyl]benzamide

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