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Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester

Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester structure

CAS No:
94159-32-7
Formula:
C12H19NO2S
Chemical Name:
Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
Synonyms:
Hexanoic acid,2-(4-methyl-5-thiazolyl)ethyl ester;2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate;2-(4-Methylthiazol-5-yl)ethyl hexanoate

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Description

Colourless to yellow liquid; Roasted, nutty aroma

Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester Basic Attributes

Molecular Weight：

241.35

Exact Mass：

241.35

EC Number：

303-210-3

UNII：

9J734HMU58

DSSTox ID：

DTXSID00240863

HScode：

2934100090

Characteristics

PSA：

67.43000

XLogP3：

3.11750

Appearance：

Colourless to yellow liquid; Roasted, nutty aroma

Density：

1.078±0.06 g/cm3

Boiling Point：

152°C/3mmHg(lit.)

Flash Point：

158.3ºC

Refractive Index：

1.4900 to 1.4940

Water Solubility：

Soluble in non-polar solvents; Slightly soluble in water|Soluble (in ethanol)

PKA：

3.18±0.10

Safety Information

GHS Classification：

Not Classified

Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester Use and Manufacturing

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:241.35
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:241.11365002
Monoisotopic Mass:241.11365002
Topological Polar Surface Area:67.4
Heavy Atom Count:16
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester

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

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