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. |
| Other Notes: | Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 46204.pdf  Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin. |
| 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 |