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Ethyl 2-acetyloctanoate

Ethyl 2-acetyloctanoate structure

CAS No:
29214-60-6
Formula:
C12H22O3
Chemical Name:
Ethyl 2-acetyloctanoate
Synonyms:
Octanoic acid,2-acetyl-,ethyl ester;Ethyl 2-acetyloctanoate;Ethyl α-hexylacetoacetate;Ethyl 2-acetylcaprylate;Ethyl 2-n-hexyl-2-acetoacetate;Gelsone;2-Acetyloctanoic acid ethyl ester
Categories:
Cosmetic Ingredient > Perfuming

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Description

Clear colourless liquid; Fruity jasmine herbal waxy aroma

Ethyl 2-acetyloctanoate Basic Attributes

Molecular Weight：

214.30100

Exact Mass：

214.30

EC Number：

249-518-0

DSSTox ID：

DTXSID3051969

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

2.72510

Density：

0.941 g/cm3

Boiling Point：

148-149 °C @ Press: 25 Torr

Flash Point：

101.7ºC

Refractive Index：

1.435

Water Solubility：

Soluble in water|Soluble (in ethanol)

Vapor Pressure：

0.0179mmHg at 25°C

Safety Information

RTECS Number：

RH0352500

Ethyl 2-acetyloctanoate Use and Manufacturing

Manufacturing Info：

Octanoic acid, 2-acetyl-, ethyl ester: ACTIVE

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:214.30
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:214.15689456
Monoisotopic Mass:214.15689456
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:199
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 2-acetyloctanoate

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

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