Butyl laurate n-Butyl Laurate

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:106-18-3

MDL number:MFCD00042870

EINECS number:203-370-3

RTECS number:None

BRN number:1776360

PubChem number:24874813

Physical property data

1. Properties: Colorless or light yellow oily liquid with peanut-like aroma.

2. Density (g/mL, 25℃): 0.8603

3. Relative density (20℃, 4℃): 0.8603

4. Melting point (ºC): -98

5. Boiling point (ºC, normal pressure): 194³⁰

6. Boiling point (ºC, 2.4kPa): 180

7. Relative density (25℃, 4℃): 0.8555

8. Refractive index at room temperature (n²⁰): 1.4354

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC) : Undetermined

12. Saturated vapor pressure (kPa, 25ºC): 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: Insoluble in water, soluble in ethanol, easily soluble in ether.

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 77.94

2. Molar volume (cm³/mol): 296.1

3. Isotonic specific volume (90.2K ): 693.4

4. Surface tension (dyne/cm): 30.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 30.90

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 6.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 14

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 26.3

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 178

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

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

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

15, The number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Keep away from light. 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

Produced by esterification of lauric acid and butanol.

Purpose

Used as spices and organic intermediates.