146455

Isovaleraldehyde

97%

• Synonym(s): 3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119
• Linear Formula: (CH₃)₂CHCH₂CHO
• CAS Number: 590-86-3
• Molecular Weight: 86.13
• Beilstein: 773692
• EC Number: 209-691-5
• MDL number: MFCD00007014
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848781
• NACRES: NA.22

Properties

• vapor density: 2.96 (vs air)
• Quality Level: 100
• vapor pressure: 30 mmHg ( 20 °C)
• Assay: 97%
• form: liquid
• autoignition temp.: 464 °F
• refractive index: n20/D 1.388 (lit.)
• bp: 90 °C (lit.)
• solubility: alcohol: miscible; diethyl ether: miscible; water: slightly soluble
• density: 0.803 g/mL at 25 °C (lit.)
• functional group: aldehyde
• 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

General description

Isovaleraldehyde is a short-chain aldehyde that can be produced by oxidizing isoamyl alcohol.[1][2]

Isovaleraldehyde is an attractant and its interaction with zoospores of the fungus Phytophthora palmivora has been studied by binding techniques[3].

Application

Isovaleraldehyde was used as standard to evaluate the quality of olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis[4]. It was used as internal standard in determination of wine aroma carbonyl compounds with 5-8 carbon atoms[5].

Safety Information

• Pictograms: GHS02,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H225,H317,H319,H335,H411
• Precautionary Statements: 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 Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 32.9 °F - closed cup
• Flash Point(C): 0.5 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves