Structural formula
| Business number | 0265 |
|---|---|
| Molecular formula | C9H6O3 |
| Molecular weight | 162.14 |
| label |
7-hydroxy-2H-1-benzopyran-2-one, 7-Hydroxy-2H-1-benzopyran-2-one, Butylidene-4,5-dihydro-3H-isobenzofuran-1-one |
Numbering system
CAS number:93-35-6
MDL number:MFCD00006878
EINECS number:202-240-3
RTECS number:GN6820000
BRN number:127683
PubChem number:24889947
Physical property data
1. Characteristics: white needle-like crystals. It has a coumarin smell when heated. Can be sublimated.
2. Density (g/mL,25/4℃)：
3. Relative vapor density (g /mL,AIR= 1): Undetermined
4. Melting point (ºC): 225 -228℃（230 -232℃).
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,0.4kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. 1. Molar refractive index:41.64
2. Molar volume (m3/mol):115.5
3. Isotonic specific volume (90.2K):320.8
4. Surface tension (dyne/cm):59.4
5. Polarizability(10-24cm3）：16.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 222
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
None
Storage method
This product should be stored in a sealed, cool and dry place.
Synthesis method
By2,4-Dihydroxyacetophenone and malic acid in the presence of sulfuric acid90-130℃ Condensation removes the acetyl group to obtain umbelliferone.
Purpose
Used as fluorescent indicator and acid-base indicator (pHfor6.5-8.0).
The polar surface area of the molecule is 46.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 222
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be stored in a sealed, cool and dry place.
Synthesis method
By2,4-Dihydroxyacetophenone and malic acid in the presence of sulfuric acid90-130℃ Condensation removes the acetyl group to obtain umbelliferone.
Purpose
Used as fluorescent indicator and acid-base indicator (pHfor6.5-8.0).
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