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Home > Encyclopedia > 1,3-Dimethyl 2-(2-methylpropyl)propanedioate

1,3-Dimethyl 2-(2-methylpropyl)propanedioate

1,3-Dimethyl 2-(2-methylpropyl)propanedioate structure

1,3-Dimethyl 2-(2-methylpropyl)propanedioate 

structure
  • CAS No:

    39520-24-6

  • Formula:

    C9H16O4

  • Chemical Name:

    1,3-Dimethyl 2-(2-methylpropyl)propanedioate

  • Synonyms:

    Propanedioic acid,2-(2-methylpropyl)-,1,3-dimethyl ester;Propanedioic acid,(2-methylpropyl)-,dimethyl ester;1,3-Dimethyl 2-(2-methylpropyl)propanedioate;Dimethyl isobutylmalonate;Dimethyl 2-isobutylmalonate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1,3-Dimethyl 2-(2-methylpropyl)propanedioate Basic Attributes

188.22

188.22

254-490-8

DTXSID8068179

Characteristics

52.6 Ų

1.012 g/mL at 25 °C (lit.)

101 °C @ Press: 13 Torr

n20/D 1.424(lit.)

12.96±0.46

Safety Information

3

36/37/38

26-36

Xi

|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,3-Dimethyl 2-(2-methylpropyl)propanedioate Use and Manufacturing

Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester: INACTIVE

Computed Properties

Molecular Weight:188.22
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:188.10485899
Monoisotopic Mass:188.10485899
Topological Polar Surface Area:52.6
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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