l-(+)-diethyl tartrate
structural formula
| business number | 01yt |
|---|---|
| molecular formula | c8h14o6 |
| molecular weight | 206.19 |
| label |
(2r,3r)-(+)-diethyl tartrate, diethyl 2,3-dihydroxysuccinate, l-(+)-tartaric acid diethyl ester, [-ch(oh)co2c2h5]2, plasticizer |
numbering system
cas number:87-91-2
mdl number:mfcd00009143
einecs number:201-783-3
rtecs number:none
brn number:1727145
pubchem number:24890139
physical property data
1. properties: colorless viscous oily liquid.
2. relative density (g/ml, 25/4℃): 1.2046
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 18.7
5. boiling point (ºc, normal pressure): 280
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index (20ºc): 1.4438
8. flash point (ºc): 93
9. specific rotation (º): +26.5± 1° (c=1, in water)
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: miscible with ethanol and ether, slightly soluble in water.
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 45.64
2. molar volume (cm3/mol): 163.3
3. isotonic specific volume (90.2k ): 428.1
4. surface tension (dyne/cm): 47.2
5. polarizability (10-24cm3)：18.09
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): -0.3
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 6
p>
4. number of rotatable chemical bonds: 7
5. number of tautomers.��
6. topological molecular polar surface area (tpsa): 93.1
7. number of heavy atoms: 14
8. surface charge: 0
p>
9. complexity: 180
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12 , the number of uncertain atomic stereocenters: 2
13. the number of determined chemical bond stereocenters: 0
14. the number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
flammable. easy to absorb moisture.
storage method
this product should be sealed and stored in a dry place.
synthesis method
none yet
purpose
used in organic synthesis, synthesis of chiral compounds, solvents for nitrocellulose, gums and resins, and plasticizers for automobile paints.
