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4-Hexen-3-one

4-Hexen-3-one structure

CAS No:
2497-21-4
Formula:
C6H10O
Chemical Name:
4-Hexen-3-one
Synonyms:
4-Hexen-3-one;2-Hexen-4-one;Ethyl 1-propenyl ketone;NSC 245483
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

4-Hexene-3-one has a pungent, acrid, metallic, ethereal odor Clear colorless to yellow liquid

4-Hexen-3-one Basic Attributes

Molecular Weight：

98.14

Exact Mass：

98.14

EC Number：

219-681-2

HScode：

29141990

Characteristics

PSA：

17.1

XLogP3：

1.54160

Appearance：

Colourless to yellow liquid; pugent, acrid, metallic odour

Density：

0.8838 g/cm³ @ Temp: 14 °C

Melting Point：

-71.05°C (estimate)

Boiling Point：

138.5 °C

Flash Point：

94 °F

Refractive Index：

1.420

Water Solubility：

slightly soluble in water; soluble in oil

Storage Conditions：

Flammables area

Vapor Pressure：

6.71mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

10-22-36/37/38

safety instructions：

16-26-36/37/39

RTECS Number：

MP8659900

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H319-H335

GHS Classification：

|Warning|H226 (99.94%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1594 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Hexen-3-one Use and Manufacturing

Methods of Manufacturing

It is formed by hydration of 4-hexene-2-yne in H2SO4-HgSO4 aqueous solution. It is formed by catalytic hydrogenation of 2-hexene-5-yn-4-one in methanol with Pd-CaCO3 as a catalyst.

Uses

GB 2760-1996 stipulates the permitted food spices.

Computed Properties

Molecular Weight:98.14
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:82.2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Hexene

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Guide of 4-Hexen-3-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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4-Hexen-3-one

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