W280208

2-Octanone

≥98%, FG

• Synonym(s): Hexyl methyl ketone
• Linear Formula: CH₃(CH₂)₅COCH₃
• CAS Number: 111-13-7
• Molecular Weight: 128.21
• FEMA Number: 2802
• Beilstein/REAXYS Number: 635843
• EC Number: 203-837-1
• Council of Europe no.: 153
• MDL number: MFCD00009540
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901181
• Flavis number: 7.019
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012
• assay: ≥98%
• refractive index: n20/D 1.416 (lit.)
• bp: 173 °C (lit.)
• mp: −16 °C (lit.)
• density: 0.819 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: woody; earthy; herbaceous
• SMILES string: CCCCCCC(C)=O
• InChI: 1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
• InChI key: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

Description

General description

2-Octanone is a volatile flavor compound reported to be found in blue cheese, acerola fruit, blue crab and cray fish.

Application

• A novel coupling technique based on thermal desorption gas chromatography with mass spectrometry and ion mobility spectrometry for breath analysis.: This study introduces a new method for analyzing breath by coupling thermal desorption gas chromatography with mass spectrometry and ion mobility spectrometry. The method enhances the detection of volatile organic compounds, including 2-Octanone, which has potential applications in medical diagnostics (Schanzmann et al., 2023).


• A Lifetime of a Dispenser-Release Rates of Olive Fruit Fly-Associated Yeast Volatile Compounds and Their Influence on Olive Fruit Fly (Bactrocera oleae Rossi) Attraction.: The research examines the release rates of volatile compounds, including 2-Octanone, from yeast associated with olive fruit flies. These findings are significant for developing effective pest management strategies in agriculture (Veršić Bratinčević et al., 2023).


• Identification of volatile organic compounds related to the eating quality of cooked japonica rice.: This study identifies volatile organic compounds, including 2-Octanone, that contribute to the eating quality of cooked japonica rice. The findings provide insights for the food industry to enhance rice flavor and quality (Lee et al., 2022).

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H312
• pcodes: P210 - P233 - P240 - P241 - P280 - P303 + P361 + P353
• Hazard Classifications: Acute Tox. 4 Dermal - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 132.8 °F - closed cup
• flash_point_c: 56 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter