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Home > Encyclopedia > 3-Phenylpropyl 3-methylbutanoate

3-Phenylpropyl 3-methylbutanoate

3-Phenylpropyl 3-methylbutanoate structure

3-Phenylpropyl 3-methylbutanoate 

structure
  • CAS No:

    5452-07-3

  • Formula:

    C14H20O2

  • Chemical Name:

    3-Phenylpropyl 3-methylbutanoate

  • Synonyms:

    Butanoic acid,3-methyl-,3-phenylpropyl ester;3-Phenylpropyl 3-methylbutanoate;NSC 21901;3-Phenylpropyl isovalerate

Description

Colourless liquid, strawberry-prune-plum-like odour

3-Phenylpropyl 3-methylbutanoate Basic Attributes

220.31

220.31

226-692-6

9UT5Q9TKW9

21901

DTXSID50202931

2915900090

Characteristics

26.30000

3.59860

0.98 g/mL at 25 °C(lit.)

285 °C(lit.)

115.7ºC

n20/D 1.484(lit.)

very slightly|insoluble in water; soluble in oils|miscible (in ethanol)

Safety Information

3

3-Phenylpropyl 3-methylbutanoate 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:220.31
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Monoisotopic Mass:220.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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