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Isobutyl gallate

Isobutyl gallate structure

Isobutyl gallate 

structure
  • CAS No:

    3856-05-1

  • Formula:

    C11H14O5

  • Chemical Name:

    Isobutyl gallate

  • Synonyms:

    Benzoic acid,3,4,5-trihydroxy-,2-methylpropyl ester;Gallic acid,isobutyl ester;Isobutyl gallate;NSC 147482;2-Methylpropyl 3,4,5-trihydroxybenzoate

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Isobutyl gallate Basic Attributes

226.23

226.23

223-363-9

SR016RR89P

147482

DTXSID00191886

2918290000

Characteristics

86.99000

1.61620

1.311g/cm3

130-131 °C

444.3ºC at 760mmHg

175.4ºC

1.581

Safety Information

3

Drug Information

isobutyl gallate

Computed Properties

Molecular Weight:226.23
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:226.08412354
Monoisotopic Mass:226.08412354
Topological Polar Surface Area:87
Heavy Atom Count:16
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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