anti-cinnamic 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:140-10-3

MDL number:MFCD00004369

EINECS number:205-398-1

RTECS number:GD7850000

BRN number:1905952

PubChem number:24890291

Physical property data

1. Characteristics: Cinamic acid has a balsamic aroma, and has the aroma of cinnamon and apricot. Appearance: white powdery solid crystal. 2. Melting point (℃): The melting point of trans-cinnamic acid is 1333. Boiling point (℃): 3004. Flash point (℃): > 1105. Relative density (d44): 1.2475. 6. Solubility: Easily soluble in ether , acetone, glacial acetic acid, chloroform and other organic solvents are insoluble in cold water but soluble in hot water.

Toxicological data

Acute toxicity data: Oral LD50 in wild birds: 100mg/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 43.70

2. Molar volume (cm³/mol): 125.0

3. Isotonic specific volume (90.2K): 332.0

4. Surface tension (3.0 dyne/cm): 49.7

5. Polarizability (0.5 10^-24cm³): 17.32

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.1

2. Number of hydrogen bond donors: 1

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): 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 155

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product has low toxicity. Rat oral LD502500mg/kg, mouse oral LC50160mg/kg.

2. Exist in flue-cured tobacco leaves, oriental tobacco leaves, and smoke.

3. Naturally found in essential oils such as Chinese cinnamon oil and basil oil. �There are two isomers, trans and cis. The trans isomer is more stable. The cinnamic acid that exists in nature and the synthetic cinnamic acid are only in the trans form.
　

Storage method

Sealed packaging in brown glass bottles. Store in a cool and dry place. Packed in plastic film-lined bags and polypropylene woven bags outside, 10kg per bag.

Synthesis method

1. Obtained from the essential oils of styrax or other plants containing cinnamic acid.

2. Tobacco: OR, 44 ;OR,26;FC,9.

Purpose

1. Mainly used to prepare flavors.