Canthaxanthin (trans)

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:514-78-3

MDL number:MFCD00016364

EINECS number:208-187-2

RTECS number:FI0330000

BRN number:1898520

PubChem ID:None

Physical property data

1. Character:Undetermined

2. Density (g/ cm³,25/4℃): Undetermined

3. Relative vapor density (g/cm ³,AIR=1): Undetermined

4. Melting point (ºC):210

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºF): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

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

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

19. Solubility:Insoluble in water

Toxicological data

1. Acute toxicity: Oral administration to adult men TDLo: 86 mg/kg/15W-I, retinal changes (pigmentation);

Mouse oral LD50: 10gm/kg, no details except lethal dose;

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1、 Molar refractive index:186.19

2、 Molar volume（m³/mol)：563.1

3、 Isotonic specific volume (90.2K):1410.3

4、 Surface tension（dyne/cm)：39.3

5、 Polarizability(10^-24cm³）：73.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 11.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: 3

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 42

8. Surface charge: 0

9. Complexity: 1270

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: 9

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

A carotenoid pigment. Dark purple crystal or crystalline powder. Melting point is about 210℃(decomposition). Unstable to oxygen and light. It needs to be stored in a light-shielding container filled with inert gas. Soluble in chloroform (10%). Slightly soluble in vegetable oil (0.005%) and acetone (0.03%). Insoluble in water, ethanol and propylene glycol. Stable industrial products are available as solutions in greases or organic solvents, or as water-dispersible orange to red powders or granules. After coloring, the color tone is not affected by pH value, is quite stable to sunlight, and does not fade easily.
Natural products are found in certain mushrooms, crustaceans, fish, algae, eggs, blood, liver, etc.

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Originated from the oxidation of β-carotene.

Purpose

Edible orange pigment is used as beverages, ice cream, waffles and other auxiliary-free biscuits and sauces, tomato processed products, meat processed products, etc. Add an appropriate amount to white cake pre-made flour to bring out apricot tones, and the pigment residue rate after baking can reach 96%. Adding 11 mg/kg to pork sausage can give the same color as beef products.