4-Heptanone
SIAL/46204 - analytical standard
Synonym: Butyrone; Dipropyl ketone
CAS Number: 123-19-3
Empirical Formula (Hill Notation): C7H14O
Molecular Weight: 114.19
EC Number: 204-608-9
MDL Number: MFCD00009403
Linear Formula: (CH3CH2CH2)2CO
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| bp | 145 °C (lit.) |
| density | 0.817 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C7H14O/c1-3-5-7(8)6-4- |
| InChI key | HCFAJYNVAYBARA-UHFFFAOYSA |
| mp | −33 °C (lit.) |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCC(=O)CCC |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 3.93 (vs air) |
| vapor pressure | 5.2 mmHg ( 20 °C) |
| Application: | 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. |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Recommended products: | 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 . |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H332 |
| Precautionary statements | P210 - P304 + P340 + P312 |
| Hazard Codes | Xn |
| Risk Statements | 10-20 |
| Safety Statements | 24/25 |
| RIDADR | UN 2710 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 120.2 °F - closed cup |
| Flash Point(C) | 49 °C - closed cup |
| bp | 145 °C (lit.) |
| mp | −33 °C (lit.) |
| Density | 0.817 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |