46204

4-Heptanone

analytical standard

• Synonym(s): Butyrone, Dipropyl ketone
• Linear Formula: (CH₃CH₂CH₂)₂CO
• CAS Number: 123-19-3
• Molecular Weight: 114.19
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329757099
• EC Number: 204-608-9
• Beilstein/REAXYS Number: 1699049
• MDL number: MFCD00009403

Properties

• grade: analytical standard
• vapor density: 3.93 (vs air)
• vapor pressure: 5.2 mmHg ( 20 °C)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• refractive index: n20/D 1.407 (lit.)
• bp: 145 °C (lit.)
• mp: −33 °C (lit.)
• density: 0.817 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: CCCC(=O)CCC
• InChI: 1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
• InChI key: HCFAJYNVAYBARA-UHFFFAOYSA-N

Description

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

4-Heptanone may be used as an analytical reference standard for the quantification of the analyte in cane-sugar spirit and rum samples using high-performance liquid chromatography with diode array detection.

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
• signalword: Warning
• hcodes: H226,H332
• pcodes: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 120.2 °F - closed cup
• flash_point_c: 49 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter