61848

Isovaleraldehyde

analytical standard

• Synonym(s): 3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119
• Linear Formula: (CH₃)₂CHCH₂CHO
• CAS Number: 590-86-3
• Molecular Weight: 86.13
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329759691
• EC Number: 209-691-5
• Beilstein/REAXYS Number: 773692
• MDL number: MFCD00007014

Properties

• grade: analytical standard
• Quality Segment: 100
• vapor density: 2.96 (vs air)
• vapor pressure: 30 mmHg ( 20 °C)
• assay: ≥93.5% (GC)
• autoignition temp.: 464 °F
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• impurities: ≤1% isovaleric acid
• refractive index: n20/D 1.388 (lit.)
• bp: 90 °C (lit.)
• density: 0.803 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• organoleptic: pungent
• storage temp.: 2-8°C
• SMILES string: [H]C(=O)CC(C)C
• InChI: 1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
• InChI key: YGHRJJRRZDOVPD-UHFFFAOYSA-N

Description

Application

Isovaleraldehyde may be used as a reference chemical standard for the analysis of microbial volatile organic compounds from isolates of Aspergillus flavus using solid phase microextraction (SPME) combined with gas chromatography-mass spectrometry.

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

Safety Information

• pictograms: GHS02,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H317,H319,H335,H411
• pcodes: P210 - P233 - P273 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 32.9 °F - closed cup
• flash_point_c: 0.5 °C - closed cup