1,4-Cyclohexanedimethanol 1,4-Cyclohexanedimethanol

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:105-08-8

MDL number:MFCD00001512

EINECS number:203-268-9

RTECS number:GU9800000

BRN number:1902271

PubChem number:24847676

Physical property data

1. Properties: white waxy solid.

2. Density (g/mL, 25℃): 1.150

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

4. Melting point (ºC): 41~61

5. Boiling point (ºC, normal pressure): 283

6. Boiling point (ºC, kpa): Undetermined

7. Refractive index: 1.4893

8. Flash point (ºC): 161

9. Specific rotation (º): Undetermined

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

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

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: miscible with water and alcohol, soluble in ketones, almost insoluble in fat Hydrocarbons, ether.

Toxicological data

Acute toxicity: Rat oral LD50: 3200mg/kg; Rat peritoneal cavity LDLo: 800mg/kg; Mouse oral LD50: 1600mg/kg; Mouse peritoneal cavity LDLo: 1600mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 40.12

2. Molar volume (cm³/mol): 143.5

3. Isotonic specific volume (90.2K ): 362.3

4. Surface tension (dyne/cm): 40.5

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.90

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 40.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 73.3

10. Isotopes Number of atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. 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

This product is prepared by hydrogenation reduction of dimethyl terephthalate in methanol solution under pressure.

Purpose

Used in the manufacture of polyester fibers; polyester electrical appliances; unsaturated polyester resins; polyester glazes; polyurethane foams, and in the production of lubricants and hydraulic fluids.