3-Phenylpropanal

Base Information

Chemical Name:3-Phenylpropanal
CAS No.:104-53-0
Deprecated CAS:719304-66-2
Molecular Formula:C9H10O
Molecular Weight:134.178
Hs Code.:29122900
European Community (EC) Number:215-620-9,203-211-8
NSC Number:9271
UNII:LP1E86N30T
DSSTox Substance ID:DTXSID0047610
Nikkaji Number:J36.950K
Wikipedia:Hydrocinnamaldehyde
Wikidata:Q174903
Metabolomics Workbench ID:46169
ChEMBL ID:CHEMBL440161
Mol file:104-53-0.mol

Synonyms:3-phenylpropanal;3-phenylpropionaldehyde;hydrocinnamaldehyde

Suppliers and Price of 3-Phenylpropanal

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AHH
3-Phenylpropionaldehyde 95%
1000g
$ 410.00

AK Scientific
Phenylpropylaldehyde
25g
$ 27.00

Alfa Aesar
3-Phenylpropionaldehyde, 95%
50g
$ 38.20

Alfa Aesar
3-Phenylpropionaldehyde, 95%
250g
$ 150.00

Alfa Aesar
3-Phenylpropionaldehyde, 95%
1000g
$ 501.00

Alichem
3-Phenylpropanal
500g
$ 163.20

Alichem
3-Phenylpropanal
1000g
$ 267.65

Ambeed
3-Phenylpropanal 97%
500g
$ 136.00

Ambeed
3-Phenylpropanal 97%
100g
$ 34.00

Ambeed
3-Phenylpropanal 97%
25g
$ 11.00

Total 96 raw suppliers

Chemical Property of 3-Phenylpropanal

Chemical Property:

Appearance/Colour:Pale yellow oil
Vapor Pressure:0.131mmHg at 25°C
Melting Point:-42 °C
Refractive Index:n20/D 1.523(lit.)
Boiling Point:217.7 °C at 760 mmHg
Flash Point:95 °C
PSA：17.07000
Density:0.986 g/cm³
LogP:1.81810
Storage Temp.:2-8°C
Sensitive.:Air Sensitive
Solubility.:0.74mg/l
Water Solubility.:Miscible with chloroform, dichloromethane, ethyl acetate, alcohol and ether. Immiscible with water.
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:134.073164938
Heavy Atom Count:10
Complexity:92.9

Purity/Quality:

99%, ^*data from raw suppliers

3-Phenylpropionaldehyde 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/38-36/37/38
Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Aldehydes
Canonical SMILES:C1=CC=C(C=C1)CCC=O
Uses 3-Phenylpropanal (cas# 104-53-0) is a compound useful in organic synthesis.

Technology Process of 3-Phenylpropanal

There total 568 articles about 3-Phenylpropanal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: (η5-C5H5)Fe(CO)(PPh3)(C(O)CH2CH2Ph)

: 1631-73-8
trimethylstannane

: 104-53-0
3-phenyl-propionaldehyde

: (C₅H₅)Fe(H)(CO)(Sn(CH₃)3)2

: (C₅H₅)Fe(CO)(P(C₆H₅)3)Sn(CH₃)3

: 122-97-4
3-Phenyl-1-propanol

: 100-41-4,27536-89-6
ethylbenzene

Guidance literature:: In benzene-d6; under Ar; 120°C, 6 h;

Reference yield: 81.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 201230-82-2
carbon monoxide

: 104-53-0
3-phenyl-propionaldehyde

: 100-41-4,27536-89-6
ethylbenzene

Guidance literature:: With Rh(acac)(CO)2; 3,3',5,5'-tetra(2,4-difluorophenyl)-2,2',6,6'-tetra((di-1-pyrrolylphosphino)oxy)-1,1'-biphenyl; hydrogen; In toluene; at 120 ℃; for 2h; under 3800.26 Torr; regioselective reaction; Autoclave;
DOI:10.1002/chem.201201396

Reference yield: 80.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 201230-82-2
carbon monoxide

: 104-53-0
3-phenyl-propionaldehyde

: 100-41-4,27536-89-6
ethylbenzene

: 34713-70-7
2-Phenylpropanal

Guidance literature:: With hydrogen; RhPtuPF₆; In toluene; at 80 ℃; under 45600 Torr; Further Variations:; Catalysts; Product distribution;
DOI:10.1016/S0022-328X(99)00615-4