537454

Butyl acetate

ReagentPlus^®, 99.5%

• Linear Formula: CH₃COO(CH₂)₃CH₃
• CAS Number: 123-86-4
• Molecular Weight: 116.16
• Beilstein/REAXYS Number: 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)
• 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
• signalword: Warning
• hcodes: H226,H336
• pcodes: P210
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• target_organs: Central nervous system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup