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
• assay: 99.5%
• bp: 124-126 °C (lit.)
• vapor pressure: 15 mmHg ( 25 °C); 8 mmHg ( 20 °C)

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 %
• dilution: (for general lab use)
• 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.[1][2] One of the methods reported for its synthesis is the esterification reaction between acetic acid and butanol catalyzed by expandable graphite (EG).[1] 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.[3] BA is a probable biofuel additive.[4]

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 - P233 - P240 - P241 - P242 - P243
• 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