Butyl acetate
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| Names | |
|---|---|
| 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 |
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PubChem CID
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| UN number | 1123 |
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| Properties | |
| Page Module:Chem2/styles.css has no content.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] |
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Henry's law
constant (kH) |
0.281 L·atm/mol |
| −77.47·10−6 cm3/mol | |
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Refractive index (nD)
|
1.3941 (20 °C)[1] |
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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 | |
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| 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 (~10.8g/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)[6] |
LCLo (lowest published)
|
14,079 ppm (cat, 72 min) 13,872 ppm (guinea pig, 4 hr)[6] |
| NIOSH (US health exposure limits): | |
PEL (Permissible)
|
TWA 150 ppm (710 mg/m3)[4] |
REL (Recommended)
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TWA 150 ppm (710 mg/m3) ST 200 ppm (950 mg/m3)[5] |
IDLH (Immediate danger)
|
1700 ppm[5] |
| 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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Template:Chembox Footer/trackingTemplate:Short description
n-Butyl acetate is an organic compound with the formula Page Module:Chem2/styles.css has no content.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]
The other three isomers (four, including stereoisomers) of butyl acetate are isobutyl acetate, tert-butyl acetate, and sec-butyl acetate (two enantiomers).
Production and use
Butyl acetate is commonly manufactured by the Fischer esterification of n-butanol and acetic acid with the presence of sulfuric acid:[7]
Butyl acetate is mainly used as a solvent for coatings and inks.[7] It is a component of fingernail polish.[8]
Occurrence in nature
Apples, especially of the "Red Delicious" variety, are flavored in part by this chemical. The alarm pheromones emitted by the Koschevnikov gland of honey bees contain butyl acetate.
References
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- ^ a b c d e f g h i j k l m Page Module:Citation/CS1/styles.css has no content.Lide, David R., ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.
- ^ a b c d Template:Nist
- ^ a b c Sigma-Aldrich Co., Butyl acetate. Retrieved on 2014-06-28.
- ^ a b c d e Page Module:Citation/CS1/styles.css has no content."MSDS of n-Butyl acetate". fishersci.ca. Fisher Scientific. Retrieved 2014-06-28.
- ^ a b Page Module:Citation/CS1/styles.css has no content.NIOSH Pocket Guide to Chemical Hazards. "#0072". National Institute for Occupational Safety and Health (NIOSH).
- ^ a b Page Module:Citation/CS1/styles.css has no content."n-Butyl acetate". Immediately Dangerous to Life or Health Concentrations. National Institute for Occupational Safety and Health.
- ^ a b c Script error: No such module "Template wrapper".
- ^ Page Module:Citation/CS1/styles.css has no content.Schneider, Günther; Gohla, Sven; Schreiber, Jörg; Kaden, Waltraud; Schönrock, Uwe; Schmidt-Lewerkühne, Hartmut; Kuschel, Annegret; Petsitis, Xenia; Pape, Wolfgang; Ippen, Hellmut; Diembeck, Walter (2001). "Skin Cosmetics". Ullmann's Encyclopedia of Industrial Chemistry. doi:10.1002/14356007.a24_219. ISBN 3527306730.
External links
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- Ethylene and other chemicals in fruit
- Material Safety Data Sheet
- CDC - NIOSH Pocket Guide to Chemical Hazards
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