02479

2-Octanone

analytical standard

• Synonym(s): Hexyl methyl ketone
• Linear Formula: CH₃(CH₂)₅COCH₃
• CAS Number: 111-13-7
• Molecular Weight: 128.21
• Beilstein/REAXYS Number: 635843
• EC Number: 203-837-1
• MDL number: MFCD00009540
• UNSPSC Code: 41116107
• PubChem Substance ID: 329747443
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥99.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.416 (lit.); n20/D 1.416
• bp: 173 °C (lit.)
• mp: −16 °C (lit.)
• density: 0.819 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• 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 compound reported to be found in blue cheese,[1] acerola fruit[2] and blue crab.[3]

Application

2-Octanone may be used as an analytical reference standard for the quantification of the analyte in sugar-cane spirits and rum samples[4] and whey protein concentrate[5] using chromatography based techniques.

Recommended products

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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