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Home > Encyclopedia > Methyl 4,4-dimethyl-3-oxopentanoate

Methyl 4,4-dimethyl-3-oxopentanoate

Methyl 4,4-dimethyl-3-oxopentanoate structure

Methyl 4,4-dimethyl-3-oxopentanoate 

structure
  • CAS No:

    55107-14-7

  • Formula:

    C8H14O3

  • Chemical Name:

    Methyl 4,4-dimethyl-3-oxopentanoate

  • Synonyms:

    Pentanoic acid,4,4-dimethyl-3-oxo-,methyl ester;Methyl pivaloylacetate;Methyl 3-oxo-4,4-dimethylpentanoate;Methyl 4,4-dimethyl-3-oxopentanoate;Methyl 4,4-dimethyl-3-oxovalerate;4,4-Dimethyl-3-oxovaleric acid methyl ester;Pivaloylacetic acid methyl ester;Methyl tert-butylcarbonylacetate;NSC 246205;4,4-Dimethyl-3-oxopentanoic acid methyl ester;1-Methoxy-4,4-dimethyl-1,3-dioxopentane

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Clear colorless to orange liquid

Methyl 4,4-dimethyl-3-oxopentanoate Basic Attributes

158.19

158.20

1764796

259-481-2

99CQ34TA4Y

246205

DTXSID2042149

2918300090

Characteristics

43.37000

1.16470

Clear colorless Liquid

1.0±0.1 g/cm3

67-70 °C @ Press: 13 Torr

171 °F

1.421

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

0.4 mm Hg ( 20 °C)

Safety Information

NONH for all modes of transport

3

36/37/38

26-36/37/39

Xi

Stable under normal temperatures and pressures.

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 4,4-dimethyl-3-oxopentanoate Use and Manufacturing

Uses

Used as a coupler intermediate

Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:158.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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