Butyl acetate
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For other uses, see Butyl acetate (disambiguation).
n-Butyl acetate is an organic compound with the formula CH3CO2(CH2)3CH3. A colorless, flammable liquid, it is the ester derived from n-butanol and acetic acid. It is found in many types of fruit, where it imparts characteristic flavors and has a sweet smell of banana or apple. It is used as an industrial solvent.[7]
Quick Facts Names, Identifiers ...
Names | |
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Preferred IUPAC name
Butyl acetate | |
Systematic IUPAC name
Butyl ethanoate | |
Other names
n-Butyl acetate Acetic acid n-butyl ester Butile | |
Identifiers | |
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3D model (JSmol) |
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Abbreviations | BuAcO |
ChEBI | |
ChEMBL | |
ChemSpider |
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ECHA InfoCard | 100.004.236 |
EC Number |
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KEGG |
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PubChem CID |
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RTECS number |
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UNII | |
UN number | 1123 |
CompTox Dashboard (EPA) |
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Properties | |
CH3CO2(CH2)3CH3 | |
Molar mass | 116.160 g·mol−1 |
Appearance | Colorless liquid |
Odor | Fruity |
Density | 0.8825 g/cm3 (20 °C)[1] |
Melting point | −78 °C (−108 °F; 195 K)[1] |
Boiling point | 126.1 °C (259.0 °F; 399.2 K) at 760 mmHg[1] |
0.68 g/100 mL (20 °C)[1] | |
Solubility | Miscible in EtOH Soluble in acetone, CHCl3[1] |
log P | 1.82[1] |
Vapor pressure | |
Henry's law constant (kH) |
0.281 L·atm/mol |
−77.47·10−6 cm3/mol | |
Thermal conductivity |
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Refractive index (nD) |
1.3941 (20 °C)[1] |
Viscosity |
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Structure | |
1.87 D (24 °C)[1] | |
Thermochemistry | |
Heat capacity (C) |
225.11 J/mol·K[2] |
Std enthalpy of formation (ΔfH⦵298) |
−609.6 kJ/mol[2] |
Std enthalpy of combustion (ΔcH⦵298) |
3467 kJ/mol[2] |
Hazards | |
Occupational safety and health (OHS/OSH): | |
Main hazards |
Flammable |
GHS labelling: | |
[3] | |
Warning | |
H226, H336[3] | |
P261[3] | |
NFPA 704 (fire diamond) | |
Flash point | 22 °C (72 °F; 295 K)[4] |
370 °C (698 °F; 643 K)[4] | |
Threshold limit value (TLV) |
150 ppm[1] (TWA), 200 ppm[1] (STEL) |
Lethal dose or concentration (LD, LC): | |
LD50 (median dose) |
10768 mg/kg (rats, oral)[4] |
LC50 (median concentration) |
160 ppm (rat, 4 hr) 2000 ppm (rat, 4 hr) 391 ppm (rat, 4 hr) 1242 ppm (mouse, 2 hr)[5] |
LCLo (lowest published) |
14,079 ppm (cat, 72 min) 13,872 ppm (guinea pig, 4 hr)[5] |
NIOSH (US health exposure limits): | |
PEL (Permissible) |
TWA 150 ppm (710 mg/m3)[4] |
REL (Recommended) |
TWA 150 ppm (710 mg/m3) ST 200 ppm (950 mg/m3)[6] |
IDLH (Immediate danger) |
1700 ppm[6] |
Related compounds | |
Related acetates |
Ethyl acetate Propyl acetate Amyl acetate |
Related compounds |
Butanol |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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The other three isomers (four, including stereoisomers) of butyl acetate are isobutyl acetate, tert-butyl acetate, and sec-butyl acetate (two enantiomers).