Hexanoic acid
SIAL/21529 - analytical standard
Synonym: Acid C6; Caproic acid
CAS Number: 142-62-1
Empirical Formula (Hill Notation): C6H12O2
Molecular Weight: 116.16
EC Number: 205-550-7
MDL Number: MFCD00004421
Linear Formula: CH3(CH2)4COOH
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.0% (GC) |
| bp | 202-203 °C (lit.) |
| density | 0.927 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C6H12O2/c1-2-3-4-5-6(7 |
| InChI key | FUZZWVXGSFPDMH-UHFFFAOYSA |
| mp | −4 °C (lit.) |
| organoleptic | pungent |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCC(O)=O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 4 (vs air) |
| vapor pressure | 0.18 mmHg ( 20 °C) |
| Application: | Hexanoic acid may be used as a reference standard for the determination of the analyte: • In Dortyol yerli orange juices by high performance liquid chromatography method • In Lomatogonium rotatum, a herbal medicine sample using acridone-9-ethyl-p-toluen |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| General description: | Hexanoic acid is a six-carbon saturated fatty acid found naturally in oils and animal fats as well as produced by certain anaerobic bacteria. It has been widely used in industrial applications such as perfumes, medicine, food additives, lubricating grease, tobacco flavor, rubber, and dyes. |
| General description: | This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here |
| 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 |   GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H302 - H311 - H314 |
| Precautionary statements | P280 - P301 + P312 + P330 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 34-52 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2829 8 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 215.6 °F - closed cup |
| Flash Point(C) | 102 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 202-203 °C (lit.) |
| mp | −4 °C (lit.) |
| Density | 0.927 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |