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Merck

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:
108-94-1
Molecular Weight:
98.14
Flavis number:
7.148
PubChem Substance ID:
24901934
UNSPSC Code:
12164502
FEMA Number:
3909
NACRES:
NA.21
EC Number:
203-631-1
MDL number:
MFCD00001625
Beilstein/REAXYS Number:
385735
Organoleptic:
minty
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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InChI key

JHIVVAPYMSGYDF-UHFFFAOYSA-N

InChI

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

SMILES string

O=C1CCCCC1

biological source

synthetic

agency

meets purity specifications of JECFA

vapor density

3.4 (vs air)

vapor pressure

3.4 mmHg ( 20 °C)

assay

99.8%

Quality Level

300

autoignition temp.

788 °F

expl. lim.

1.1 %, 100 °F, 9.4 %

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

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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.

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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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Certificates of Analysis (COA)

Lot/Batch Number
SHBT4375
SHBQ2409
SHBQ2314
STBK0927
STBJ6280

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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)
Won-Heong Lee et al.
Applied microbiology and biotechnology, 97(4), 1561-1569 (2012-10-12)
Sufficient supply of NADPH is one of the most important factors affecting the productivity of biotransformation processes. In this study, construction of an efficient NADPH-regenerating system was attempted using direct phosphorylation of NADH by NADH kinase (Pos5p) from Saccharomyces cerevisiae
Viktória Fábos et al.
Chemistry, an Asian journal, 7(11), 2638-2643 (2012-09-07)
The processing of renewable feedstocks to platform chemicals and, to a lesser degree, fuels is a key part of sustainable development. In particular, the combination of lignocellulosic biomass with hydrothermal upgrading (HTU), using high temperature and pressure water (HTPW), is
Yun-Yun Xu et al.
Bioorganic & medicinal chemistry, 21(2), 388-394 (2012-12-19)
A type of novel α,β-unsaturated cyclohexanone analogous, which designed based on the curcumin core structure, have been discovered as potential EGFR inhibitors. These compounds exhibit potent antiproliferative activity in two human tumor cell lines (Hep G2 and B16-F10). Among them
M Zheng et al.
Xenobiotica; the fate of foreign compounds in biological systems, 32(5), 427-439 (2002-06-18)
1. Hydromorphone-3-glucuronide, dihydromorphine, dihydroisomorphine, dihydromorphine-3-glucuronide and dihydroisomorphine-3-glucuronide were isolated from a cancer patient's urine and identified as metabolites of hydromorphone by comparison with synthetic standards using LC/MS/MS with gradient elution. 2. The relative urinary recovery of dihydroisomorphine-3-glucuronide was estimated to
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