

Names
Preferred IUPAC name Butyl acetate
Systematic IUPAC name Butyl ethanoate
Other names n-Butyl acetate Acetic acid n-butyl ester Butile
Identifiers
CAS NumberY
3D model (JSmol)
AbbreviationsBuAcO
ChEBIY
ChEMBLY
ChemSpiderY
ECHA InfoCard
EC Number204-658-1
KEGGY
PubChem CID
RTECS numberAF7350000
UNIIY
UN number1123
CompTox Dashboard (EPA)
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3YKey:DKPFZGUDAPQIHT-UHFFFAOYSA-NYInChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3Key:DKPFZGUDAPQIHT-UHFFFAOYAF
SMILES CCCCOC(=O)C
Properties
Chemical formulaCH3CO2(CH2)3CH3
Molar mass116.160g·mol−1
AppearanceColorless liquid
OdorFruity
Density0.8825g/cm3 (20°C)
Melting point−78°C (−108°F; 195K)
Boiling point126.1°C (259.0°F; 399.2K) at 760mmHg
Solubility in water0.68g/100 mL (20°C)
SolubilityMiscible in EtOH Soluble in acetone, CHCl3 log P1.82
Vapor pressure0.1kPa (−19°C)1.66kPa (24°C)44.5kPa (100°C)
Henry's law constant ( k H )0.281L·atm/mol
Magnetic susceptibility ( χ )−77.47·10−6cm3/mol
Thermal conductivity0.143W/m·K (0°C)0.136W/m·K (25°C)0.130W/m·K (50°C)0.116W/m·K (100°C)
Refractive index ( n D )1.3941 (20°C)
Viscosity1.002cP (0°C)0.685cP (25°C)0.5cP (50°C)0.305cP (100°C)
Structure
Dipole moment1.87 D (24 °C)
Thermochemistry
Heat capacity ( C )225.11 J/mol·K
Std enthalpy of formation (Δ f H ⦵ 298 )−609.6 kJ/mol
Std enthalpy of combustion (Δ c H ⦵ 298 )3467 kJ/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazardsFlammable
GHS labelling:
Pictograms
Signal wordWarning
Hazard statementsH226, H336
Precautionary statementsP261
NFPA 704 (fire diamond)230
Flash point22°C (72°F; 295K)
Autoignition temperature370°C (698°F; 643K)
Threshold limit value (TLV)150ppm (TWA),200ppm (STEL)
Lethal dose or concentration (LD, LC):
LD 50 (median dose)10768 mg/kg (~10.8g/kg) (rats, oral)
LC 50 (median concentration)160 ppm (rat, 4 hr) 2000 ppm (rat, 4 hr) 391 ppm (rat, 4 hr) 1242 ppm (mouse, 2 hr)
LC Lo (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
Except where otherwise noted, data are given for materials in their standard state (at 25°C [77°F], 100kPa). Yverify(what isYN?) Infobox references