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5-Methyl-2-hepten-4-one

5-Methyl-2-hepten-4-one structure

CAS No:
81925-81-7
Formula:
C8H14O
Chemical Name:
5-Methyl-2-hepten-4-one
Synonyms:
2-Hepten-4-one,5-methyl-;5-Methyl-2-hepten-4-one
Categories:
Cosmetic Ingredient > Perfuming

Description

5-Methyl-2-hepten-4-one has a hazelnut, metallic, buttery odor and a hazelnut, buttery, mushroom taste. (2E)-5-Methyl-2-hepten-4-one has a fruity, hazelnut, and green odor reminding of dried fruits and a characteristic, nutty, roasted, and nougat-like hazelnut flavor. It was identified as the character compound of natural hazelnut flavor. Preparation is possible, for example, by Grignard reaction of 2-butyl magnesium chloride with crotonaldehyde and subsequent oxidation or by reaction of 2-meth

5-Methyl-2-hepten-4-one Basic Attributes

Molecular Weight：

126.196

Exact Mass：

126.20

EC Number：

617-270-6

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

1.97

Appearance：

Colourless liquid; hazelnut, metallic, buttey odour

Density：

0.848 g/cm³ @ Temp: 20 °C

Melting Point：

-66.9°C (estimate)

Boiling Point：

170 °C

Flash Point：

62.7±4.2 °C

Refractive Index：

1.430

Water Solubility：

slightly soluble in water; soluble in oils

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 1

wgk germany：

hazard class code：

R10

safety instructions：

S16

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P312, P302+P352, P303+P361+P353, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P403+P235, P501

Hazard Statements：

H226

5-Methyl-2-hepten-4-one Use and Manufacturing

Manufacturing Info：

2-Hepten-4-one, 5-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:126.20
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:114
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 5-Methyl-2-hepten-4-one

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

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Manufactory Supplier of fine chemicals,pharmaceutical materials

5-METHYL-2-HEPTEN-4-ONE

CAS No.: 81925-81-7

Grade: industrial Grade

Content: 98%

Inquiry
Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

5-METHYL-2-HEPTEN-4-ONE 99% Dideu

CAS No.: 81925-81-7

Grade: Industrial Grade

Content: 99%

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Guide of 5-Methyl-2-hepten-4-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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5-Methyl-2-hepten-4-one

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