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Hexyl heptanoate

Hexyl heptanoate structure

Hexyl heptanoate 

structure
  • CAS No:

    1119-06-8

  • Formula:

    C13H26O2

  • Chemical Name:

    Hexyl heptanoate

  • Synonyms:

    Heptanoic acid,hexyl ester;Hexyl heptanoate;1-Hexyl heptanoate;Hexyl enanthate

Description

Liquid; herbaceous aroma.


Liquid; Herbaceous aroma


Hexyl heptanoate is a heptanoate ester obtained by the formal condensation of the carboxy group of heptanoic acid (enanthic acid) with hexan-1-ol. It has a role as a flavouring agent, a volatile oil component and a human metabolite. It derives from a hexan-1-ol.

Hexyl heptanoate Basic Attributes

214.349

214.34

601-140-0

G02H8871NA

DTXSID40149765

Characteristics

26.3

4.9

Liquid; Herbaceous aroma

0.8611

-48°C

137 °C @ Press: 19 Torr

1.429

Insoluble in water; soluble in non-polar solvents

Hexyl heptanoate Use and Manufacturing

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

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:214.34
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:214.193280068
Monoisotopic Mass:214.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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