02479

2-Octanone

analytical standard

• Synonym(s): Hexyl methyl ketone
• Linear Formula: CH₃(CH₂)₅COCH₃
• CAS Number: 111-13-7
• Molecular Weight: 128.21
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329747443
• EC Number: 203-837-1
• Beilstein/REAXYS Number: 635843
• MDL number: MFCD00009540
• eCl@ss: 25140904

Properties

• grade: analytical standard
• Quality Segment: 100
• assay: ≥99.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, chromatography: suitable, gas chromatography (GC): suitable
• refractive index: 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, acerola fruit and blue crab.

Application

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

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Codes: H226,H312
• Precautionary Statements: P210 - P233 - P240 - P241 - P280 - P303 + P361 + P353
• Hazard Classifications: Acute Tox. 4 Dermal - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• Flash Point (°F): 132.8 °F - closed cup
• Flash Point (°C): 56 °C - closed cup
• PPE (personal protective equipment): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter