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W390909

Sigma-Aldrich

Cyclohexanone

99.8%

Synonym(s):

Hexanon, Keto hexamethylene, Ketohexamethylene, Pimelic ketone, Sextone

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About This Item

Linear Formula:
C6H10(=O)
CAS Number:
108-94-1
Molecular Weight:
98.14
FEMA Number:
3909
Beilstein:
385735
EC Number:
203-631-1
MDL number:
MFCD00001625
UNSPSC Code:
12164502
PubChem Substance ID:
24901934
Flavis number:
7.148
NACRES:
NA.21

biological source

synthetic

Quality Level

400

Agency

meets purity specifications of JECFA

vapor density

3.4 (vs air)

vapor pressure

3.4 mmHg ( 20 °C)

Assay

99.8%

form

liquid

autoignition temp.

788 °F

expl. lim.

1.1 %, 100 °F
9.4 %

refractive index

n20/D 1.450 (lit.)

bp

155 °C (lit.)

mp

−47 °C (lit.)

density

0.947 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

minty

SMILES string

O=C1CCCCC1

InChI

1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChI key

JHIVVAPYMSGYDF-UHFFFAOYSA-N

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General description

Cyclohexanone is a cyclic ketone with a minty odor. It is reported to be present in volatile flavor fraction of kiwi fruit pulp and acerola fruit.

Application


  • Structural Revision of Hyperibrin B and Hyperscabrones H and I by Biosynthetic Considerations, NMR Analysis, and Chemical Synthesis.: Cyclohexanone is utilized in the synthesis and structural revision of complex natural products, demonstrating its utility in biochemical research (Wang et al., 2021).

  • Biocatalytic conversion of cycloalkanes to lactones using an in-vivo cascade in Pseudomonas taiwanensis VLB120.: This study highlights the biocatalytic potential of Cyclohexanone in producing valuable lactones, contributing to advancements in green chemistry (Karande et al., 2018).

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

111.2 °F - closed cup

Flash Point(C)

44 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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GC-FTIR as a powerful tool for the characterization of flavor components in Kiwi.
Fischbock G, et al.
Microchimica Acta, 96(1), 249-257 (1988)
Application of fragment screening and merging to the discovery of inhibitors of the Mycobacterium tuberculosis cytochrome P450 CYP121.
Sean A Hudson et al.
Angewandte Chemie (International ed. in English), 51(37), 9311-9316 (2012-08-15)
Viktória Fábos et al.
Chemistry, an Asian journal, 7(11), 2629-2637 (2012-09-07)
Iron (and to a lesser extent manganese) in the wall of a 316 stainless steel (SS) reactor is responsible for the hydrogenation of cyclohexanone to cyclohexanol when using an aqueous formic acid solution under high temperature and pressure water (HTPW)
Michael Eddleston et al.
Toxicology, 294(2-3), 94-103 (2012-03-01)
Organophosphorus (OP) insecticide self-poisoning is responsible for about one-quarter of global suicides. Treatment focuses on the fact that OP compounds inhibit acetylcholinesterase (AChE); however, AChE-reactivating drugs do not benefit poisoned humans. We therefore studied the role of solvent coformulants in
Annhelen Lu et al.
Chemical communications (Cambridge, England), 48(78), 9699-9701 (2012-08-23)
The use of functional core-shell micelles as asymmetric catalytic nanoreactors for organic reactions in water is presented. An unprecedented increase in rate of reaction was achieved, which is proposed to be associated with the ability of the nanostructures to effectively
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