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Merck
CN

W390909

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:
Molecular Weight:
98.14
Flavis number:
7.148
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3909
NACRES:
NA.21
EC Number:
203-631-1
MDL number:
Beilstein/REAXYS Number:
385735
Organoleptic:
minty
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Segment

agency

meets purity specifications of JECFA

vapor density

3.4 (vs air)

vapor pressure

3.4 mmHg ( 20 °C)

assay

99.8%

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

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.


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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

3 - Flammable liquids

wgk

WGK 1

flash_point_f

111.2 °F - closed cup

flash_point_c

44 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter



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