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Nonyl 3-methylbutanoate

Nonyl 3-methylbutanoate structure

CAS No:
7786-47-2
Formula:
C14H28O2
Chemical Name:
Nonyl 3-methylbutanoate
Synonyms:
Butanoic acid,3-methyl-,nonyl ester;Isovaleric acid,nonyl ester;Nonyl 3-methylbutanoate;Nonyl isovalerate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Nonyl isovalerate has a heavy fruit odor (apple–hazelnut with citrus notes) and a sweet, warm, floral taste.

colourless to pale yellow liquid/apple-hazelnut, citrus odour

Nonyl isovalerate is a carboxylic ester.

Nonyl 3-methylbutanoate Basic Attributes

Molecular Weight：

228.37

Exact Mass：

228.37

EC Number：

232-098-8

UNII：

SXP0UF66RQ

DSSTox ID：

DTXSID90228473

Characteristics

PSA：

26.30000

XLogP3：

4.32630

Appearance：

colourless to pale yellow liquid/apple-hazelnut, citrus odour

Density：

0.866g/cm3

Melting Point：

-37.3°C (estimate)

Boiling Point：

265.4ºC at 760 mmHg

Flash Point：

115ºC

Refractive Index：

1.434

Water Solubility：

soluble in alcohol; insoluble in water

Collision Cross Section：

156.49 Å² [M-H]- [CCS Type: TIMS, Method: single field calibrated]

Nonyl 3-methylbutanoate Use and Manufacturing

Methods of Manufacturing

It is formed by direct esterification of n-nonanol and isovaleric acid.

Uses

GB 2760-96 stipulates the permitted food spices.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:228.37
XLogP3:5.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:228.208930132
Monoisotopic Mass:228.208930132
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Nonyl 3-methylbutanoate

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

Nonyl 3-methylbutanoate

SDS

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