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Ethyl 3-hydroxyoctanoate

Ethyl 3-hydroxyoctanoate structure

CAS No:
7367-90-0
Formula:
C10H20O3
Chemical Name:
Ethyl 3-hydroxyoctanoate
Synonyms:
Octanoic acid,3-hydroxy-,ethyl ester;Caprylic acid,β-hydroxy-,ethyl ester;Ethyl 3-hydroxyoctanoate;96854-38-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colourless clear liquid; Wine-like aroma with fruity floral notes

Ethyl 3-hydroxyoctanoate Basic Attributes

Molecular Weight：

188.27

Exact Mass：

188.26

EC Number：

230-919-4

HScode：

2918199090

Characteristics

PSA：

46.5

XLogP3：

1.88080

Appearance：

Colourless clear liquid; Wine-like aroma with fruity floral notes

Density：

0.965g/cm3

Boiling Point：

101-104 °C @ Press: 5 Torr

Flash Point：

109℃

Refractive Index：

1.442

Water Solubility：

Practically insoluble or insoluble in water

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Ethyl 3-hydroxyoctanoate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:188.26
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:188.14124450
Monoisotopic Mass:188.14124450
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:134
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ethyl 3-hydroxyoctanoate

CAS No.: 7367-90-0

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