Assay (GC)

>=99.5% (premium); >=99.2% (first); >=99.0% (qualified); >=99.0% (reagent AR)

Appearance

Colorless clear liquid, free of visible impurities

Color (APHA/Hazen)

≤ 10

 Water (KF)

≤ 0.05 %；≤ 0.10 %；≤ 0.10 %；≤ 0.05 %

 Acidity (as acetic acid)

≤ 0.010 %；≤ 0.005 %

 n-Butanol

≤ 0.2 %；≤ 0.5 %；—

 Evap. residue

≤ 0.005 %；≤ 0.005 %

 Density (20 °C)

0.878 – 0.883 g/cm3（20/4 ℃）

 Odor

 Characteristic fruity, no off-odour, no residual odour

 Molecular formula

C6H12O2（CH3COO(CH2)3CH3）

Molecular weight

116.16 g/mol

Melting point

 ~−78 C; lit. −77.9 to −78 C

 Boiling point

~126 C at 760 mmHg; lit. 124-126 C

 Density

0.88 g/mL（25 °C；Sigma/Merck）；0.8825 g/cm3（20 °C）

 Vapor density (air=1)

~4.0（heavier than air）

 Vapor pressure

15 mmHg @ 25 °C（Sigma/Merck）；11.5 mmHg @ 25 °C

 Flash point

 ~27 C (closed cup;Merck/Evonik/Sigma/EMSURE pages 27 C; ICSC & most Chinese MSDS 22 C - discrepancy from measurement/lot; dominant classification uses 27 C)

 Auto-ignition temp.

~421 C (790 F); Sigma/Merck/Chinese manufacturer mainstream consensus, ICSC also 421 C; NOTE: Wikipedia and a few Chinese MSDS list 370 C - literature discrepancy)

 Explosive limits (air)

~1.4%-8.0% v/v (LEL 1.2-1.4%, UEL 7.5-8.0%)

Refractive index (n20/D)

1.394

log P 

 ~1.8 (XLogP3; lit. 1.82)

 Viscosity

~0.685 mPa·s（25 °C；Sigma/HSDB）；~ 0.734 mPa·s（20 °C）

 Solubility

Slightly soluble in water (~0.7 g/100 mL, 20 C ~7 g/L); miscible with ethanol, ether, acetone, hydrocarbons and most organic solvents/resins

 Dielectric constant

~ 5.0（20 °C）

 Heat of combustion

~3464 kJ/mol

 Critical temp.

~306 °C

 WGK

1 (Germany); all sources agree WGK 1 - no conflict）