3-phenylpropionaldehyde
CAS NO. 104-53-0
First of all, let us tell you what is the basic information of 3-phenylpropionaldehyde.
CAS Number 104-53-0 ,Molecular Weight 134.175
Density 1.0±0.1 g/cm3 Boiling Point 217.7±0.0 °C at 760 mmHg
Molecular Formula C9H10O , Melting Point -42 °C
MSDS Document , Flash Point 95.0±0.0 °C
Like many stuff, it has many synonyms as follows
EINECS 203-211-8
MFCD00007021
3-Phenylpropanal
Phenylpropyl aldehyde
dihydrocinnamaldehyde
3-Phenylpropyl aldehyde
Benzenepropanal
β-Phenylpropionaldehyde
Propionaidehyde, 3-phenyl-
propionaldehyde, 3-phenyl-
Hydrocinnamaldehyde
Hydrocinnamic aldehyde
Hydrocinnamylaldehyde
The chemical is very special,so we want to show some special properties as follows
Properties and Stability
Firstly, a colorless liquid. Boiling point 222 ℃, relative density 1.010-1.020, refractive index 1.520-1.532, flash point 97 ℃, soluble in twice the volume of 70% ethanol and most oils, with an acid value<5.0. In addition, it has a sweet and fresh floral aroma that is burnt, sweet and green, somewhat resembling the aroma of sycamore and hyacinth, and also slightly resembling the aroma of rabbit ear aldehyde. However, it has a warm, sweet and spicy aroma, with a strong and long-lasting fragrance of cinnamon.
Second, the Synthetic Route we will recommend is the most important for your reference?
1. Produced by catalytic hydrogenation of cinnamaldehyde (using phenylpropionitrile as the starting material, or made from cinnamaldehyde di: ethyl acetal)
2. Synthesis line in details as follows,
Add 2.88g (0.12mol) of magnesium chips, anhydrous THP300mL, and one iodine particle to a reaction flask equipped with a stirrer, thermometer, reflux condenser, and ventilation tube. Inject dry nitrogen gas. Dropwise addition by β- Dissolve 14.06g (0.1mol) of phenylethyl chloride (B) in a solution of 50mL THF, and first initiate the reaction by adding about 2mL of warm water. After the reaction is initiated, slowly add the remaining solution, and the drop acceleration should be based on a slight reflux of the reaction liquid. After adding, stir for 1 hour at 23 ℃, and then reflux for 8 hours. Cool to 0 ℃, slowly add 13.56g (0.12mol) of N-formylpiperidine dropwise and acidify with dry hydrochloric acid to pH 2, separate the organic layer, and extract the water layer three times with ether. Merge the organic layers, wash them with water, 10% sodium bicarbonate, and saturated salt water in sequence, dry them with anhydrous magnesium sulfate, reflux the solvent, and then perform vacuum distillation. Collect a fraction of about 87 ℃/133Pa to obtain 8.8-10.2g of 3-phenylpropanal (A), with a yield of 66% to 76%. [A]
3.other synthesis lines as follows,
Third, what is the usage of 3-phenylpropionaldehyde ?
Use a small amount can be used for hyacinth, carnation, lily of the valley, lilac, rabbit ear flower, ylang, rose, jasmine, sweet tofu pudding, sunflower, sweet clover, new mowed grass and other fragrant essence, which have the effect of sweetening and enhancing aroma. It can also be used in the fragrance of osmanthus, laurel, spice, and tobacco. It can also be used as food spice in essence such as almonds, berries, grapes, cherries, peaches, plums, cinnamon, etc. It is more widely used to prepare various floral essence, especially lilac, jasmine and rose essence.
Besides Safety Information is also important when handling it
Dangerous Goods Sign Xi
Hazard category codes 36/38-36/37/38
Safety instructions 26-36-37/39
WGKGermany 2
RTECS number MW4890000F10-23
Autoignition temperature 245 ° C
H.S. code 29122900
Toxicity LD50 orallyin Rabbit:>5000mg/kg LD50 dermal Rabbit>5000mg/kg
What is the appearance of 3-phenylpropionaldehyde ？
Please see the picture of 3-phenylpropionaldehyde above.
Third，How can you identify if the chemical you have is right or not？
through conforming the a collection of illustrative plates as follows
IR picture of 3-phenylpropionaldehyde as follows
GC picture of 3-phenylpropionaldehyde is as follows,
Specificaiotn of 3-phenylpropionaldehyde
Appearance： colorless liquid to light yellow
Purity：98% min by GC
IR and HNMR identify： conform
Article cited for your reference below
(1)3-phenylpropanal is a benzene which is substituted by a 3-oxopropyl group at position 1. It has a role as a flavouring agent and a plant metabolite. It is an aldehyde and a member of benzenes. It is functionally related to a benzene.
(2)Hydrocinnamaldehyde is the organic compound It is produced by the hydrogenation of cinnamaldehyde. The compound is used in many mechanistic studies.[1] It is a common substrate in organic synthesis.[2][3]
