W335207

4-Hexen-3-one

≥92%

• Synonym(s): 4-Hexen-3-one, predominantly trans
• Linear Formula: CH₃CH=CHCOC₂H₅
• CAS Number: 2497-21-4
• Molecular Weight: 98.14
• FEMA Number: 3352
• EC Number: 219-681-2
• Council of Europe no.: 718
• MDL number: MFCD00010631
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901660
• Flavis number: 7.048
• NACRES: NA.21

Properties

• biological source: synthetic
• grade: Halal
• assay: ≥92%
• refractive index: n20/D 1.44 (lit.)
• bp: 135-137 °C (lit.)
• density: 0.858 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• organoleptic: pungent; ethereal
• SMILES string: CCC(=O)\C=C\C
• InChI: 1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
• InChI key: FEWIGMWODIRUJM-HWKANZROSA-N

Description

General description

4-Hexen-3-one is an unsaturated aldehyde that is reported to occur in strawberry fruit, essential oil of Ruta graveolens and Holigarna grahamii leaves. Due to its fruity fragrance, it is also used in the perfume industry.

Application

• Key lime (Citrus aurantifolia) inhibits the growth of triple drug resistant Helicobacter pylori.: Explores the antibacterial properties of key lime, potentially including volatile components like 4-Hexen-3-one, highlighting its relevance in medical microbiology and the development of alternative therapeutic agents (Lee et al., 2018).


• Chemical composition of hexane extract of Citrus aurantifolia and anti-Mycobacterium tuberculosis activity of some of its constituents.: Investigates the components of Citrus aurantifolia hexane extract, including the role of 4-Hexen-3-one in combating Mycobacterium tuberculosis, demonstrating the potential of natural products in treating infectious diseases (Sandoval-Montemayor et al., 2012).


• Kinetic investigation of the OH radical and Cl atom initiated degradation of unsaturated ketones at atmospheric pressure and 298 K.: This study examines the reactivity of atmospheric ketones including 4-Hexen-3-one with OH radicals and Cl atoms, providing valuable data for understanding their fate in the atmosphere (Blanco et al., 2012).

Disclaimer

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

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302,H315,H319,H335
• pcodes: P210 - P233 - P240 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 93.2 °F - closed cup
• flash_point_c: 34 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter