Methylmalonic acid

Structural formula

Business number	05BL
Molecular formula	C4H6O4
Molecular weight	118.09
label	2-Methylpropanedioic acid, CH3CH(CO2H)2

• 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:516-05-2

MDL number:MFCD00054429

EINECS number:208-216-9

RTECS number:None

BRN number:None

PubChem number:24896996

Physical property data

1. Character: white

2. Density (g/ cm³, 25/4℃): 1.455

3. Relative density ( 20℃, 4℃): 1.455

4. Melting point (ºC): 130

5. Boiling point (ºC, normal pressure): 271

6. Boiling point (ºC, 8kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Ratio Optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

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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: soluble in water

Toxicological data

1. Acute toxicity: Mouse intraperitoneal LDLo: 500mg/kg, no detailed description except the lethal dose;

Mouse intravenous LD50: 100mg/kg, no detailed description except the lethal dose ;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 23.66

2. Molar volume (cm³/mol): 84.1

3. Isotonic specific volume (90.2K ): 232.2

4. Surface tension (dyne/cm): 57.9

5. Polarizability (10^-24cm³): 9.38

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 74.6

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 103

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

For organic synthesis

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