Structural formula
| Business number | 0711 |
|---|---|
| Molecular formula | C6H12O2 |
| Molecular weight | 116.16 |
| label |
Isopropylpropionate, Methyl ethyl propionate, Propanoic acid 1-methylethyl ester, Propanoic acid Isopropyl ester, C2H5C(O)OCH(CH3)2, ester fragrances, food additives, Food flavors (flavor enhancers) |
Numbering system
CAS number:637-78-5
MDL number:MFCD00051553
EINECS number:211-300-8
RTECS number:UF5140000
BRN number:1699921
PubChem ID:None
Physical property data
1. Properties: liquid.
2. Density (g/mL, 25/4℃): 0.8655
3. Relative density (25℃, 4℃): 0.8601
4 . Refractive index at room temperature (n25): 1.3879
5. Boiling point (ºC, normal pressure): 110
6. Refractive index at room temperature (n20): 1.3891
7. Refractive index: 1.3885
8. Flash point (ºC): 15
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC) : Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water.
Toxicological data
None
Ecological data
Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 31.57
2. Molar volume (cm3/mol): 131.4
3. Isotonic specific volume (90.2K ): 292.9
4. Surface tension (dyne/cm): 24.6
5. Polarizability (10-24cm3): 12.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 76.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Keep away from oxides.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None
Purpose
None
