Elaidic Acid Elaidic 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:112-79-8

MDL number:MFCD00063954

EINECS number:204-006-6

RTECS number:JX6125000

BRN number:1726543

PubChem number:24894568

Physical property data

1. Properties: white flakes.

2. Relative density (25℃, 4℃): 0.8701⁵⁰

3. Relative density (20℃, 4℃): 0.8734⁴⁵

4. Melting point (ºC): 44.5

5. Boiling point (ºC, normal pressure): 234 (2kpa)

6 . Boiling point (ºC, 100mmHg): 288

7. Refractive index at room temperature (n²⁰): 1.4499⁴⁵

8 . Flash point (ºC): >110

9. Refractive index at room temperature (n²⁵): 1.4308¹⁰⁰

10 . Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): 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: Undetermined

Toxicological data

1. Acute toxicity: mouse intraperitoneal LD50: 100mg/kg

Ecological data

No harm to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 87.06

2. Molar volume (cm³/mol): 313.8

3. Isotonic specific volume (90.2K): 757.2

4. Surface tension (dyne/cm): 33.8

5. Polarizability (10^-24cm³): 34.51

Compute chemical data

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

2. �Number of �� bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 15

5. Interconversion Number of isomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 234

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 1

14. The number of uncertain chemical bond stereocenters: 0

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15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Found in tobacco leaves.

3. The original document does not clarify the position and configuration of the olefinic bond. The content here refers to (E)-9-octadecenoic acid.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants, and mixed storage should be avoided

. 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

None

Purpose

None