418102

Butyraldehyde

purified by redistillation, ≥99.5%

• Synonym(s): Butanal
• Linear Formula: CH₃CH₂CH₂CHO
• CAS Number: 123-72-8
• Molecular Weight: 72.11
• Beilstein/REAXYS Number: 506061
• EC Number: 204-646-6
• MDL number: MFCD00007023
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866205
• NACRES: NA.22

Properties

• vapor density: 2.5 (vs air)
• Quality Level: 200
• vapor pressure: 90 mmHg ( 20 °C)
• assay: ≥99.5%
• form: liquid
• autoignition temp.: 390 °F
• purified by: redistillation
• expl. lim.: 12.5 %
• refractive index: n20/D 1.380 (lit.)
• bp: 75 °C (lit.)
• mp: −96 °C (lit.)
• density: 0.8 g/mL at 25 °C (lit.)
• organoleptic: pungent
• SMILES string: [H]C(=O)CCC
• InChI: 1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
• InChI key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

Description

General description

Butyraldehyde, also known as Butanal, is an aliphatic aldehyde, that is commonly used as a versatile building block in various organic reactions, such as in the synthesis of diverse C4–C8 alcohols, esters, amines, and carboxylic acids.

Application

Butyraldehyde can be used as a reactant in the:

• Reductive amination of various nitroarene derivatives to synthesize mono-N-alkylated aniline derivatives.
• Ionic liquid-catalyzed Knoevenagel condensation with active methylene compounds to synthesize substituted electrophilic alkenes.
• NiCl₂-catalyzed synthesis of α-aminonitriles by reacting with amines and trimethylsilyl cyanides.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: <50.0 °F - Pensky-Martens closed cup
• flash_point_c: < 10 °C - Pensky-Martens closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter