1-Tridecanol 1-Tridecanol

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:112-70-9

MDL number:MFCD00004756

EINECS number:203-998-8

RTECS number:YD4200000

BRN number:1739991

PubChem number:24889491

Physical property data

1. Properties: colorless, transparent and viscous liquid, or needle-shaped crystals with a special odor.

2. Density (g/mL, 20℃): 0.8147

3. Relative vapor density (g/mL, air=1): 6.9

4. Melting point (ºC): 30.6

5. Boiling point (ºC, normal pressure): 278.4

6. Boiling point (ºC, 14mmHg): 153-155

7. Refractive index _(n²⁰_D): 1.4583

8. Flash point (ºC): 121.1

9. Relative density (25℃, 4℃): 0.8165⁵⁰

10. Refractive index at room temperature (n²⁵): 1.4351⁵⁰

11. Solubility parameter (J·cm^-3)^0.5: 18.893

12. van der Waals area (cm²·mol^-1): 1.978×10¹⁰

13. van der Waals volume (cm³·mol^-1): 144.470

14. Crystalline phase standard combustion heat (enthalpy) (kJ·mol^-1): -8517.8

15. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): – 599.4

16. Logarithmic 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: Insoluble in water, soluble in organic solvents

Toxicological data

1. Irritation: Rabbit transdermal: 410mg, mild irritation.

2. Acute toxicity: Rat oral LD50: 17200mg/kg

Rabbit transdermal LD50: 5600 mg/kg

Ecological data

No harm to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 63.81

2. Molar volume (cm³/mol): 240.6

3. Isotonic specific volume (90.2K): 566.0

4. Surface tension (dyne/cm): 30.6

5. Polarizability (10^-24cm³): 25.29

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 11

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 91.2

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

1. The solidification point is below -50℃. It has the reactivity of general higher alcohols and avoids contact with oxidants.

2. Exist in smoke.

Storage method

Store in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging must be sealed and protected from moisture. 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

Dodecene can be obtained by tetramerization of propylene, tridecyl alcohol can be obtained by oxo synthesis, and the product can be obtained after separation.

Purpose

Used as raw materials for phthalates; stabilizers for phosphites, lubricant additives; raw materials for acrylic acid and acrylic esters; penetrants, detergents; ink additives; paint viscosity regulators; extraction agents; general solvents; plasticizers Raw materials for the agent DTDP; raw materials for non-ionic and cationic surfactants.