D(+)-hydroxysuccinic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.