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

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

CAS No:
101426-31-7
Formula:
C16H27NO2S
Chemical Name:
Decanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
Synonyms:
Decanoic acid,2-(4-methyl-5-thiazolyl)ethyl ester;2-(4-Methyl-1,3-thiazol-5-yl)ethyl decanoate;2-(4-Methyl-5-thiazolyl)ethyl decanoate

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Description

Colourless to yellow liquid; Roasted, nutty aroma

2-(4-Methyl-5-thiazolyl)ethyl decanoate is a member of thiazoles.

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

Molecular Weight：

297.46

Exact Mass：

297.46

UNII：

58A4103WF6

DSSTox ID：

DTXSID20143928

HScode：

2934100090

Characteristics

PSA：

67.43000

XLogP3：

4.67790

Density：

1.014

Boiling Point：

181°C/4mmHg(lit.)

Flash Point：

>110ºC

Refractive Index：

1.484-1.494

Water Solubility：

0.08687 mg/L @ 25 °C (est)|Soluble in non-polar solvents; insoluble in water|Soluble (in ethanol)

Vapor Pressure：

1.66E-06mmHg at 25°C

PKA：

3.18±0.10

Safety Information

GHS Classification：

|Warning|H302 (99.93%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1375 companies from 3 notifications to the ECHA C&L Inventory.

Decanoic 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:297.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:297.17625028
Monoisotopic Mass:297.17625028
Topological Polar Surface Area:67.4
Heavy Atom Count:20
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Decanoic 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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