α-Amyl cinnamic aldehyde α-Amyl cinnamic aldehyde

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:122-40-7

MDL number:MFCD00006988

EINECS number:204-541-5

RTECS number:GD6825000

BRN number:None

PubChem number:24857376

Physical property data

1. Properties: light yellow to yellow transparent liquid 2. Boiling point (℃, 2.67pa): 174~175 3. Boiling point (℃, 666pa): 140 4. Relative density (20℃): 0.9711

Toxicological data

1. Acute toxicity: rat oral LD50: 3.7g/kg; rabbit skin test LD50: >2g/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 65.33

2. Molar volume (cm³/mol): 210.0

3. Isotonic specific volume (90.2K ): 514.2

4. Surface tension (dyne/cm): 35.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 25.90

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 4.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 6

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 17.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 199

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 Quantity: 1

14. Uncertain number of stereocenters of chemical bonds���: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Packaged in brown glass bottles. Store in a cool place.

Synthesis method

1. It is one of the main components of jasmine oil. Industrially, it is mainly produced by the condensation of heptanal and benzaldehyde obtained from castor oil. The reaction formula is as follows:

2. In Add benzaldehyde to the alkali aqueous solution of methanol, and gradually add heptaldehyde at 32°C to react. Then add water to the reactant, and separate the liquids to collect the oil phase (crude product). The crude product is washed with saturated brine and then distilled under reduced pressure to collect the 140-145°C (067kPa) fraction to obtain jasmonaldehyde.

3.It is obtained by the condensation of benzaldehyde and heptanaldehyde in alkaline ethanol solution.

Purpose

1. Used in food flavoring agents, cosmetic flavors and soap flavors.

2.Used to prepare apples, strawberries, cherries, peaches, almonds, etc. essence. Generally in chewing gum 15mg/kg; in baked goods 4.5mg/kg ;4.0mg/kg in candies; 1.5mg/kg in cold drinks; soft drinks Medium 1.3mg/kg.

3. Used in organic synthesis.