Tetrahydrofurfuryl acetic acid
Structural formula
| Business number | 070Y |
|---|---|
| Molecular formula | C7H12O3 |
| Molecular weight | 144.17 |
| label |
Tetrahydrofurfuryl alcohol acetate, Tetrahydrofurfuryl acetate, Tetrahydro-2-furanmethyl acetate, Hydrogen furfuryl acetate, Tetrahydrofuran methyl acetate, Tetrahydro-2-furylmethyl acetate, Acetic Acid Tetrahydrofurfuryl Ester, ester fragrances, food additives, Food flavors (flavor enhancers) |
Numbering system
CAS number:637-64-9
MDL number:MFCD00022478
EINECS number:211-296-8
RTECS number:None
BRN number:383629
PubChem number:24849590
Physical property data
1. Properties: Colorless liquid.
2. Density (g/mL,25/4℃）：1.058
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 193-195
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.437
8. Flash point (ºC): 81
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): Undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Not determined .
Toxicological data
None yet
Ecological data
If it is slightly harmful to water, do not Allow undiluted or large amounts of product 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: 35.78
2. Molar Volume (m3/mol):137.3
3. isotonic specific volume (90.2K):333.4
4. Surface Tension (dyne/cm):34.7
5. Polarizability（10-24cm3):14.18
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 35.5
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 122
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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 and place Store in a cool, dry place. Store away from oxidizing agents.
Synthesis method
From tetrahydrofurfuryl alcohol with acetic anhydride and acetyl chloride in the presence of inorganic acid Formed by acetylation.
Purpose
GB 2760–1996Food spices that are temporarily allowed to be used.
