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Home > Encyclopedia > 5-Methyl-5-hexen-2-one

5-Methyl-5-hexen-2-one

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

5-Methyl-5-hexen-2-one 

structure
  • CAS No:

    3240-09-3

  • Formula:

    C7H12O

  • Chemical Name:

    5-Methyl-5-hexen-2-one

  • Synonyms:

    5-Hexen-2-one,5-methyl-;5-Methyl-5-hexen-2-one;5-Methylene-2-hexanone;NSC 21640

Description

Colourless to pale yellow liquid; strong fatty, green citrus-like odour

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

112.172

112.17

221-807-6

6OVV4Q22O6

21640

DTXSID5062928

2914190090

Characteristics

17.1

1.93170

Colourless to pale yellow liquid; strong fatty, green citrus-like odour

0.8475 g/cm3 @ Temp: 25 °C

150 °C

38.7ºC

n20/D 1.431(lit.)

insoluble in water; soluble in fats

Safety Information

III

3.2

UN 1224 3/PG 3

3

10-22-41

26-39

Xn: Harmful;

P280-P305 + P351 + P338

H226-H302-H318

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

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

Food additives -> Flavoring Agents

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:112.17
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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