Butyl acetate

n-Butyl acetate
Names
	Preferred IUPAC name Butyl acetate
	Systematic IUPAC name Butyl ethanoate
	Other names n-Butyl acetate; Acetic acid n-butyl ester; Butile
Identifiers
CAS Number	123-86-4 ;
3D model (JSmol)	Interactive image;
Abbreviations	BuAcO
ChEBI	CHEBI:31328 ;
ChEMBL	ChEMBL284391 ;
ChemSpider	29012 ;
ECHA InfoCard	100.004.236
EC Number	204-658-1;
KEGG	C12304 ;
PubChem CID	31272;
RTECS number	AF7350000;
UNII	464P5N1905 ;
UN number	1123
CompTox Dashboard (EPA)	DTXSID3021982 ;
	InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N ; InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 Key: DKPFZGUDAPQIHT-UHFFFAOYAF;
	SMILES CCCCOC(=O)C;
Properties
Chemical formula	CH3CO2(CH2)3CH3
Molar mass	116.160 g·mol−1
Appearance	Colorless liquid
Odor	Fruity
Density	0.8825 g/cm3 (20 °C)
Melting point	−78 °C (−108 °F; 195 K)
Boiling point	126.1 °C (259.0 °F; 399.2 K) at 760 mmHg
Solubility in water	0.68 g/100 mL (20 °C)
Solubility	Miscible in EtOH; Soluble in acetone, CHCl3
log P	1.82
Vapor pressure	0.1 kPa (−19 °C); 1.66 kPa (24 °C); 44.5 kPa (100 °C);
Henry's law; constant (kH)	0.281 L·atm/mol
Magnetic susceptibility (χ)	−77.47·10−6 cm3/mol
Thermal conductivity	0.143 W/m·K (0 °C); 0.136 W/m·K (25 °C); 0.130 W/m·K (50 °C); 0.116 W/m·K (100 °C);
Refractive index (nD)	1.3941 (20 °C)
Viscosity	1.002 cP (0 °C); 0.685 cP (25 °C); 0.5 cP (50 °C); 0.305 cP (100 °C);
Structure
Dipole moment	1.87 D (24 °C)
Thermochemistry
Heat capacity (C)	225.11 J/mol·K
Std enthalpy of; formation (ΔfH⦵298)	−609.6 kJ/mol
Std enthalpy of; combustion (ΔcH⦵298)	3467 kJ/mol
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Flammable
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H336
Precautionary statements	P261
NFPA 704 (fire diamond)	2 3 0
Flash point	22 °C (72 °F; 295 K)
Autoignition; temperature	370 °C (698 °F; 643 K)
Threshold limit value (TLV)	150 ppm (TWA), 200 ppm (STEL)
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	10768 mg/kg (rats, oral)
LC50 (median concentration)	160 ppm (rat, 4 hr); 2000 ppm (rat, 4 hr); 391 ppm (rat, 4 hr); 1242 ppm (mouse, 2 hr)
LCLo (lowest published)	14,079 ppm (cat, 72 min); 13,872 ppm (guinea pig, 4 hr)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 150 ppm (710 mg/m3)
REL (Recommended)	TWA 150 ppm (710 mg/m3) ST 200 ppm (950 mg/m3)
IDLH (Immediate danger)	1700 ppm
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). verify (what is ?) Infobox references

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.

The other three isomers (four, including stereoisomers) of butyl acetate are isobutyl acetate, tert-butyl acetate, and sec-butyl acetate (two enantiomers).

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