W390909

Cyclohexanone

99.8%

• Synonym(s): Hexanon, Keto hexamethylene, Ketohexamethylene, Pimelic ketone, Sextone
• 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

Properties

• 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

Description

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.

Safety Information

• Pictograms: GHS02,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H226,H302 + H312 + H332,H315,H318,H335
• Precautionary Statements: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• 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