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Merck
CN

262404

Methyl 4,4-dimethyl-3-oxopentanoate

99%

Synonym(s):

Methyl pivaloylacetate

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About This Item

Linear Formula:
(CH3)3CCOCH2CO2CH3
CAS Number:
55107-14-7
Molecular Weight:
158.19
NACRES:
NA.22
PubChem Substance ID:
24855877
UNSPSC Code:
12352100
EC Number:
259-481-2
MDL number:
MFCD00008847
Assay:
99%

Key Documents

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Product Name

Methyl 4,4-dimethyl-3-oxopentanoate, 99%

InChI key

XTXCFTMJPRXBBC-UHFFFAOYSA-N

InChI

1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3

SMILES string

COC(=O)CC(=O)C(C)(C)C

vapor pressure

0.4 mmHg ( 20 °C)

assay

99%

refractive index

n20/D 1.487 (lit.)

bp

67-70 °C/13 mmHg (lit.)

density

0.99 g/mL at 25 °C (lit.)

functional group

ester
ketone

Quality Level

100

Related Categories

Application

Methyl 4,4-dimethyl-3-oxopentanoate has been used:
  • as substarte during InCl3-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives
  • in the preparation of neat α-oxoketene, carbomethoxypivaloylketene

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
S41449V
S41449
11825JA
11608AF
09512AO

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Indium (III) chloride catalyzed one step synthesis of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives.
Tocco G, et al.
Tetrahedron Letters, 45(37), 6909-6913 (2007)
Neat carbomethoxypivaloylketene-preparation and chemical reactivity.
Stadler A, et al.
Tetrahedron, 57(31), 6757-6763 (2001)

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