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Hexanoic acid, 2-acetyl-, ethyl ester

Hexanoic acid, 2-acetyl-, ethyl ester structure

CAS No:
1540-29-0
Formula:
C10H18O3
Chemical Name:
Hexanoic acid, 2-acetyl-, ethyl ester
Synonyms:
Hexanoic acid,2-acetyl-,ethyl ester;Caproic acid,α-acetyl-,ethyl ester;Ethyl 2-acetylhexanoate;Ethyl α-butylacetoacetate;3-Carbethoxy-2-heptanone;Ethyl 2-butylacetylacetate;Ethyl 2-butyl-3-oxobutanoate;Ethyl 2-butylacetoacetate;2-Acetylhexanoic acid ethyl ester;NSC 11771;NSC 25322;NSC 404202;152548-73-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colourless clear liquid; Fruity wine-like aroma

Hexanoic acid, 2-acetyl-, ethyl ester Basic Attributes

Molecular Weight：

186.25

Exact Mass：

186.25

EC Number：

216-271-5

NSC Number：

404202|25322|11771

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

2.3

Appearance：

Colourless clear liquid; Fruity wine-like aroma

Density：

0.9539 g/cm³ @ Temp: 16.5 °C

Boiling Point：

221.5 °C

Flash Point：

65°C/1mm

Refractive Index：

1.4320

Water Solubility：

Practically insoluble or insoluble in water

Vapor Pressure：

0.107mmHg at 25°C

Safety Information

safety instructions：

S24/25

Hexanoic acid, 2-acetyl-, ethyl ester Use and Manufacturing

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:186.25
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:186.125594432
Monoisotopic Mass:186.125594432
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:175
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl 2-acetylhexanoate

CAS No.: 1540-29-0

Content: 99.00%

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Guide of Hexanoic acid, 2-acetyl-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Hexanoic acid, 2-acetyl-, ethyl ester

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