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4,5-Octanedione

4,5-Octanedione structure

4,5-Octanedione 

structure
  • CAS No:

    5455-24-3

  • Formula:

    C8H14O2

  • Chemical Name:

    4,5-Octanedione

  • Synonyms:

    4,5-Octanedione;Bibutyryl;4,5-Octadione;n-Octane-4,5-dione;NSC 23256

Description

Yellow liquid; At high concentration powerful pungent, fatty buttery aroma; upon dilution pleasant creamy-buttery aroma

4,5-Octanedione Basic Attributes

142.198

142.20

611-166-4

9OCI30QIY0

23256

DTXSID50202971

2914190090

Characteristics

34.1

1.72480

Yellow liquid; At high concentration powerful pungent, fatty buttery aroma; upon dilution pleasant creamy-buttery aroma

0.929 g/cm3 @ Temp: 21 °C

14.93°C (estimate)

168 °C

56.5ºC

1.419

Practically insoluble or insoluble in water

4,5-Octanedione Use and Manufacturing

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:142.20
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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