537454

Butyl acetate

ReagentPlus^®, 99.5%

• Linear Formula: CH₃COO(CH₂)₃CH₃
• CAS Number: 123-86-4
• Molecular Weight: 116.16
• Beilstein: 1741921
• EC Number: 204-658-1
• MDL number: MFCD00009445
• UNSPSC Code: 12352108
• PubChem Substance ID: 329757980
• NACRES: NA.21

Properties

• vapor density: 4 (vs air)
• Quality Level: 100
• vapor pressure: 15 mmHg ( 25 °C); 8 mmHg ( 20 °C)
• product line: ReagentPlus^®
• Assay: 99.5%
• form: liquid
• autoignition temp.: 790 °F
• expl. lim.: 7.6 %
• impurities: ≤0.05% (water)
• refractive index: n20/D 1.394 (lit.)
• pH: 6.2 (20 °C, 5.3 g/L)
• bp: 124-126 °C (lit.)
• mp: −78 °C (lit.)
• density: 0.88 g/mL at 25 °C (lit.)
• SMILES string: CCCCOC(C)=O
• InChI: 1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
• InChI key: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Description

General description

Butyl acetate (BA, n-butyl acetate) is an ester commonly used as an organic solvent in cosmetic and pharmaceutical industries and as a flavoring agent in food industry. One of the methods reported for its synthesis is the esterification reaction between acetic acid and butanol catalyzed by expandable graphite (EG). The decomposition of BA by photocatalysis in the gas phase has been studied using WO₃/TiO₂ (tungsten oxide/titanium dioxide), Pt/TiO₂ and TiO₂ catalysts. BA is a probable biofuel additive.

Application

Meets urethane grade requirements (H2O ≤ 0.05%)

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226 - H336
• Precautionary Statements: P210
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• Target Organs: Central nervous system
• Supplementary Hazards: EUH066
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 80.6 °F - closed cup
• Flash Point(C): 27 °C - closed cup