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5-Methyl-3-hexen-2-one

5-Methyl-3-hexen-2-one structure

CAS No:
5166-53-0
Formula:
C7H12O
Chemical Name:
5-Methyl-3-hexen-2-one
Synonyms:
3-Hexen-2-one,5-methyl-;5-Methyl-3-hexen-2-one;2-Oxo-5-methylhex-3-ene;5-Methyl-3-hexene-2-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

clear colourless liquid; pungent metalic odour

5-Methyl-3-hexen-2-one Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.17

EC Number：

225-950-5

DSSTox ID：

DTXSID1063726

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

1.78760

Appearance：

clear colourless liquid; pungent metalic odour

Density：

0.8484 g/cm³ @ Temp: 18.5 °C

Boiling Point：

156 °C @ Press: 757 Torr

Flash Point：

118 °F

Refractive Index：

n20/D 1.44(lit.)

Water Solubility：

insoluble in water

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1992 3/PG 3

wgk germany：

hazard class code：

10-20/21/22-24-20/22

safety instructions：

16-27-36/37/39-45-36/37

RTECS Number：

MP8750000

Marks：

Xn,T

Precautionary statement(s)：

P280-P312

Hazard Statements：

H226-H302 + H332-H311

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P337+P313, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 301 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Methyl-3-hexen-2-one Use and Manufacturing

Methods of Manufacturing

It is formed by the condensation of acetone and isobutyraldehyde under alkaline conditions.

Uses

GB 2760-1996 stipulates the allowable food flavors.

Manufacturing Info：

3-Hexen-2-one, 5-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:112.17
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:101
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutyraldehyde

Recommended Suppliers of 5-Methyl-3-hexen-2-one

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5 YRS

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5-METHYL-3-HEXEN-2-ONE

CAS No.: 5166-53-0

Content: 99.00%

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Guide of 5-Methyl-3-hexen-2-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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5-Methyl-3-hexen-2-one

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