Methyl decanoate Methyl decanoate

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:110-42-9

MDL number:MFCD00009580

EINECS number:203-766-6

RTECS number:HD9830000

BRN number:1759170

PubChem number:24852851

Physical property data

1. Properties: Colorless and transparent oily liquid.

2. Density (g/mL, 25℃): 0.873

3. Relative density (20℃, 4℃): 0.8730

4. Melting point (ºC): -18

5. Boiling point (ºC, normal pressure): 224, 108ºC (1333pa)

6. Relative density (25℃, 4℃): 0.8399⁶⁰

7. Refractive index _(n²⁰_D): 1.425

8. Flash point (ºC): 94

9. Refractive index at room temperature (n²⁰): 1.4259

10. Gas phase standard heat of combustion (Enthalpy) (kJ·mol^-1): -6898.96

11. The gas phase standard claims heat (enthalpy) (kJ·mol^-1) : -573.79

12. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -6832.22

13. Liquid phase standard claim Heat (enthalpy) (kJ·mol^-1): -640.53

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: Soluble in ethanol, ether and benzene, insoluble in water.

Toxicological data

1. Acute toxicity: mouse intravenous LDLO: 48mg/kg

Ecological data

This substance is slightly hazardous to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 54.78

2. Molar volume (cm³/mol): 213.5

3. Isotonic specific volume (90.2K): 494.5

4. Surface tension (dyne/cm): 28.7

5. Polarizability (10^-24cm³): 21.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 9

5. Interaction�Number of isomers: None

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 121

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. It does not decompose at room temperature and pressure, avoid contact with strong oxidants.

2. Exist in flue-cured tobacco leaves and oriental tobacco leaves.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Tobacco: OR, 26; FC, 40.

Purpose

Gas Chromatography Standard Materials. Intermediates for the synthesis of detergents, emulsifiers, wetting agents and stabilizers.