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Fructone

Fructone structure

CAS No:
6413-10-1
Formula:
C8H14O4
Chemical Name:
Fructone
Synonyms:
1,3-Dioxolane-2-acetic acid,2-methyl-,ethyl ester;Ethyl acetoacetate 3-ethylene acetal;Ethyl acetoacetate ethylene ketal;Ethyl 3-oxobutyrate ethylene ketal;Fructone;Ethyl acetoacetate ethylene glycol ketal;Ethyl 2-methyl-1,3-dioxolane-2-acetate;NSC 6537;(2-Methyl-1,3-dioxolan-2-yl)acetic acid ethyl ester;2-Methyl-2-[(ethoxycarbonyl)methyl]-1,3-dioxolane;Applinal;Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate;Ethyl (2-methyl-1,3-dioxolan-2-yl)acetate;Jasmaprunate;1021149-30-3
Categories:
Cosmetic Ingredient > Perfuming

Description

Ethyl (2-Methyl-[1,3]dioxolan-2-yl)-acetate is not found in nature. It is a colorless liquid, d
20
4
1.084–1.092, n
20
D
1.431–1.435, with a strong, fruity, apple-like, slightly green odor. It can be prepared by acetalization of ethyl acetoacetate with ethylene glycol.

Liquid|Clear colourless liquid; Strong fruity apple green sweet woody aroma

Fructone Basic Attributes

Molecular Weight：

174.194

Exact Mass：

174.19

EC Number：

229-114-0

UNII：

G5EXI4NID0

NSC Number：

6537

DSSTox ID：

DTXSID3041241

HScode：

2932999099

Characteristics

PSA：

44.76000

XLogP3：

0.2

Appearance：

Liquid

Density：

1.0409 g/cm³ @ Temp: 20 °C

Boiling Point：

107 °C @ Press: 11 Torr

Flash Point：

80.8±20.4 °C

Refractive Index：

1.428

Water Solubility：

Very slightly soluble in water

Safety Information

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

Not Classified

Fructone Use and Manufacturing

Uses

Odor agents

Air care products

Production

100,000 - 500,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|1,3-Dioxolane-2-acetic acid, 2-methyl-, 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:174.19
XLogP3:0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:44.8
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Fructone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Fructone

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