D(+)-hydroxysuccinic acid
Structural formula
| Business number | 0703 |
|---|---|
| Molecular formula | C4H6O5 |
| Molecular weight | 134.09 |
| label |
D-(+)-malic acid, R(+)-2-hydroxysuccinic acid, R-(+)-malic acid, malic acid, (R)-(+)-2-Hydroxysuccinic acid, chiral compounds, carboxylic acids, food additives, acidic solvent |
Numbering system
CAS number:636-61-3
MDL number:MFCD00004245
EINECS number:211-262-2
RTECS number:ON7260000
BRN number:1723540
PubChem number:24870595
Physical property data
1. Properties: White crystals with a special fruity sour taste.
2. Density (g/mL, 25/4℃): 1.595
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 98~102
5. Boiling point (ºC, normal pressure): 140
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): 2.2° (c=3 , H2O)10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in water and ethanol.
Toxicological data
1. Acute toxicity: Rabbit (oral) LDLO: 5,500 mg/kg Since the LD50 of table salt is 3,000 mg/kg, the acute toxicity of BPA is the same as that of table salt.
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: 25.20
2. Molar volume (cm3/mol): 81.6
3. Isotonic specific volume(90.2K): 248.9
4. Surface tension (dyne/cm): 86.2
5. Polarizability (10-24cm3): 9.99
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -1.3
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
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4. Number of rotatable chemical bonds: 3
5. Topological molecular polar surface area (TPSA): 94.8
6. Number of heavy atoms: 9
7. Surface charge: 0
8. Complexity: 129
9. Number of isotope atoms: 0
10. Determine the atomic stereocenter Number: 0
11. Number of uncertain atomic stereocenters: 0
12. Number of determined chemical bond stereocenters: 0
13. Uncertain chemical bonds Number of stereocenters: 0
14, Number of covalent bond units: 1
Properties and stability
1. Keep away from oxides.
2. Exist in flue-cured tobacco leaves, burley tobacco leaves and smoke.
3. Naturally found in immature apple, hawthorn, and grape juice.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
1. Isolate malic acid from immature apples; industrially, it is mainly produced by catalytic oxidation of benzene to generate maleic anhydride, which is then reacted with water under high temperature and pressure.
Purpose
1. Used for chiral drugs, chiral additives, chiral auxiliaries, etc.
2. It is widely used in fruity flavors and is a good product for preparing refreshing drinks and ice cream.