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 ![]() ![]() |
Symbol | ![]() ![]() |
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 |