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Heptanoic acid, heptyl ester

Heptanoic acid, heptyl ester structure

CAS No:
624-09-9
Formula:
C14H28O2
Chemical Name:
Heptanoic acid, heptyl ester
Synonyms:
Heptanoic acid,heptyl ester;Heptyl heptoate;Heptyl heptanoate;1-Heptyl heptanoate

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Description

Liquid; green aroma.

Liquid|Liquid; Green aroma

Heptyl heptanoate is a fatty acid ester.

Heptanoic acid, heptyl ester Basic Attributes

Molecular Weight：

228.37100

Exact Mass：

228.37

EC Number：

210-828-6

UNII：

BG2A3OKN56

DSSTox ID：

DTXSID80211450

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

4.47040

Appearance：

Liquid

Density：

0.867g/cm3

Melting Point：

-33 °C

Boiling Point：

277 °C

Flash Point：

120ºC

Refractive Index：

1.435

Water Solubility：

Insoluble in water, soluble in non-polar solvents

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Heptanoic acid, heptyl ester Use and Manufacturing

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:228.37
XLogP3:5.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:228.208930132
Monoisotopic Mass:228.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Heptanoic acid, heptyl ester

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Heptanoic acid, heptyl ester

SDS

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