W269204

Isovaleraldehyde

≥97%, FG

• Synonym(s): 3-Methylbutanal, 3-Methylbutyraldehyde, NSC 404119
• Linear Formula: (CH₃)₂CHCH₂CHO
• CAS Number: 590-86-3
• Molecular Weight: 86.13
• FEMA Number: 2692
• Beilstein: 773692
• EC Number: 209-691-5
• Council of Europe no.: 94
• MDL number: MFCD00007014
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901257
• Flavis number: 5.006
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• vapor density: 2.96 (vs air)
• vapor pressure: 30 mmHg ( 20 °C)
• Assay: ≥97%
• autoignition temp.: 464 °F
• refractive index: n20/D 1.388 (lit.)
• bp: 90 °C (lit.)
• density: 0.803 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: chocolate; ethereal; fruity; peach; sour
• 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 one of the flavor compounds identified in wheat, corn-grits and tequila.

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