| Melting point |
-80 °C (lit.) |
| Boiling point |
169-170 °C/70 mmHg (lit.) |
| Density |
1.076 g/mL at 25 °C (lit.) |
| vapor density |
4 (vs air) |
| vapor pressure |
1 hPa (20 °C) |
| refractive index |
n20/D 1.419(lit.) |
| Flash point |
158 °F |
| storage temp. |
2-8°C |
| solubility |
460 g/L (20°C) |
| form |
Liquid |
| pka |
10.67±0.46(Predicted) |
| color |
APHA: ≤20 |
| PH |
3.8 (863g/l, H2O, 20℃) |
| Odor |
at 100.00 %. fresh fruity citrus green |
| Odor Type |
fruity |
| explosive limit |
1.3-14.2%(V) |
| Water Solubility |
460 g/L (20 ºC) |
| Merck |
14,6009 |
| BRN |
506727 |
| Henry's Law Constant |
6.4×100 mol/(m3Pa) at 25℃, \vS (2002) |
| Cosmetics Ingredients Functions |
PERFUMING |
| InChI |
1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey |
WRQNANDWMGAFTP-UHFFFAOYSA-N |
| SMILES |
COC(=O)CC(C)=O |
| LogP |
0.185 (est) |
| CAS DataBase Reference |
105-45-3(CAS DataBase Reference) |
| NIST Chemistry Reference |
Butanoic acid, 3-oxo-, methyl ester(105-45-3) |
| EPA Substance Registry System |
Methyl acetoacetate (105-45-3) |
