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Pentyl heptanoate

Pentyl heptanoate structure

CAS No:
7493-82-5
Formula:
C12H24O2
Chemical Name:
Pentyl heptanoate
Synonyms:
Heptanoic acid,pentyl ester;Amyl heptanoate;Pentyl heptanoate;NSC 46129
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Colorless to pale-yellow liquid; Amyl heptanoate has a characteristic strong, ethereal, fruital (unripe banana) odor and corresponding taste

Liquid|colourless to pale yellow liquid with a fruity, unripe banana odour

Pentyl heptanoate is a fatty acid ester.

Pentyl heptanoate Basic Attributes

Molecular Weight：

200.32

Exact Mass：

200.32

EC Number：

231-342-0

UNII：

I91PDA80HT

NSC Number：

46129

DSSTox ID：

DTXSID3064724

Characteristics

PSA：

26.3

XLogP3：

3.69020

Density：

0.87g/cm3

Melting Point：

-50 °C

Boiling Point：

245.4 °C

Flash Point：

99ºC

Refractive Index：

1.429

Water Solubility：

soluble in most organic solvents|1 ml in 1 ml 95% alcohol (in ethanol)

Pentyl heptanoate Use and Manufacturing

Methods of Manufacturing

Derived by esterification of pentanol and heptanoate.

Uses

GB 2760-1996 stipulates the allowable food flavors.

Manufacturing Info：

Heptanoic acid, pentyl ester: INACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:200.32
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isoamyl alcohol

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Guide of Pentyl heptanoate

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

Pentyl heptanoate

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