Isovaleric acid
SIAL/78651 - analytical standard
Synonym: 3-Methylbutanoic acid; 3-Methylbutyric acid
CAS Number: 503-74-2
Empirical Formula (Hill Notation): C5H10O2
Molecular Weight: 102.13
EC Number: 207-975-3
MDL Number: MFCD00002726
Linear Formula: (CH3)2CHCH2COOH
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥98.5% (GC) |
| autoignition temp. | 824 °F |
| bp | 175-177 °C (lit.) |
| density | 0.925 g/mL at 20 °C (lit.) |
| format | neat |
| grade | analytical standard |
| impurities | ≤0.3% water |
| InChI | 1S/C5H10O2/c1-4(2)3-5(6)7 |
| InChI key | GWYFCOCPABKNJV-UHFFFAOYSA |
| mp | −29 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(C)CC(O)=O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor pressure | 0.38 mmHg ( 20 °C) |
| Application: | Isovaleric acid may be used as an analytical reference standard for the quantification of the analyte in the following: • Rose apple (Syzygium jambos Alston) fruit using gas chromatography with flame ionization detection (GC-FID), mass spectrometry (GC-MS) and olfactometry/aroma extract dilution analysis (GC-O/AEDA). • Sicilian goat cheese using gas chromatography with flame ionization detection (GC-FID) and mass spectrometry (GC-MS). • Food products using gas chromatography with flame ionization detection (GC-FID). |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P303 + P361 + P353 - P305 + P351 + P338 + P310 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 176.0 °F - Pensky-Martens c |
| Flash Point(C) | 80 °C - Pensky-Martens clos |
| Purity | ≥98.5% (GC) |
| bp | 175-177 °C (lit.) |
| mp | −29 °C (lit.) |
| Density | 0.925 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |