78651

Isovaleric acid

analytical standard

• Synonym(s): 3-Methylbutanoic acid, 3-Methylbutyric acid
• Linear Formula: (CH₃)₂CHCH₂COOH
• CAS Number: 503-74-2
• Molecular Weight: 102.13
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329768168
• EC Number: 207-975-3
• Beilstein/REAXYS Number: 1098522
• MDL number: MFCD00002726

Properties

• grade: analytical standard
• Quality Segment: 100
• vapor pressure: 0.38 mmHg ( 20 °C)
• assay: ≥98.5% (GC)
• autoignition temp.: 824 °F
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• impurities: ≤0.3% water
• refractive index: n20/D 1.402-1.404, n20/D 1.403 (lit.)
• bp: 175-177 °C (lit.)
• mp: −29 °C (lit.)
• density: 0.925 g/mL at 20 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: CC(C)CC(O)=O
• InChI: 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
• InChI key: GWYFCOCPABKNJV-UHFFFAOYSA-N

Description

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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).

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk: WGK 1
• flash_point_f: 176.0 °F - Pensky-Martens closed cup
• flash_point_c: 80 °C - Pensky-Martens closed cup