3-Phenylpropionic acid CAS 501-52-0
Introduction：Basic information about 3-Phenylpropionic acid CAS 501-52-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Phenylpropionic acid Basic informationDescription Preparation Uses
| Product Name: | 3-Phenylpropionic acid |
| Synonyms: | Benzenepropionic acid;benzenepropionicacid;hydrocinnamic;Phenylpropanoic acid;propanoicacid,3-phenyl-;propionicacid,3-phenyl-;Benyl propionic acid;Hydrocinamic acid |
| CAS: | 501-52-0 |
| MF: | C9H10O2 |
| MW: | 150.17 |
| EINECS: | 207-924-5 |
| Product Categories: | Aromatics;Aloe Vera;Building Blocks;C9;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Nutrition Research;Aromatic Propionic Acids;Cinnamic acid;Organic acids;Pharmaceutical Intermediates;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);501-52-0;11 |
| Mol File: | 501-52-0.mol |
3-Phenylpropionic acid Chemical Properties
| Melting point | 45-48 °C (lit.) |
| Boiling point | 280 °C (lit.) |
| density | 1.071 g/mL at 25 °C (lit.) |
| vapor pressure | 0.356Pa at 25℃ |
| refractive index | 1.5408 (estimate) |
| FEMA | 2889 | 3-PHENYLPROPIONIC ACID |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.6% soluble in water, soluble in alcohol, Propylene glycol, Glycerin and oils |
| pka | 4.66(at 25℃) |
| form | Liquid |
| color | Clear yellow to yellow-green |
| Specific Gravity | 1.071 |
| Odor | Very faint, warm-balsamic and sweet odor of Coumarin-Vanillin-type |
| Odor Type | floral |
| biological source | synthetic |
| Water Solubility | Soluble in water |
| Merck | 14,4784 |
| JECFA Number | 646 |
| BRN | 907515 |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| InChI | 1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey | XMIIGOLPHOKFCH-UHFFFAOYSA-N |
| SMILES | OC(=O)CCc1ccccc1 |
| LogP | 1.153 at 25℃ |
| CAS DataBase Reference | 501-52-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Phenylpropanoic acid(501-52-0) |
| EPA Substance Registry System | Hydrocinnamic acid (501-52-0) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 22-24/25-37/39-26 |
| WGK Germany | 3 |
| RTECS | DA8600000 |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Description | 3-Phenylpropionic acid is a carboxylic acid that belongs to the class of phenylpropanoids. Also referred as hydrocinnamic acid, the chemical is a white crystalline solid with a sweet fatty smell of rose musk cinnamon at room temperature. 3-Phenylpropionic acid is soluble in both water and alcohol. It is widely used in food additives, cosmetics, and pharmaceuticals. |
| Preparation | Hydrogenation of cinnamic acid is used in the preparation of 3-Phenylpropionic acid. Initially, the chemical was prepared by reduction with sodium amalgam in water by electrolysis. |
| Uses | Food Industry 3-Phenylpropionic acid is utilized in the food industry as a preservative as well as to maintain the original quality of aroma of frozen foods. It is also used for flavoring and restoring original color to food. 3-Phenylpropionic acid is added to shelved foods to prevent microorganisms from deteriorating the food. It also acts as an antioxidant to prolong the life of foodstuff in shelves. 3-Phenylpropionic acid is also used as a food sweetener. 3-Phenylpropionic acid acts as an emulsifier as it can keep water and oil mixtures separated. 3-Phenylpropionic acid can be added in food for technological reasons in wide range such as processing, manufacturing, packaging, treatment, transportation, and storage. Cosmetics 3-Phenylpropionic acid is used in beautifying products such as bath gels, detergent powders, and fabric softeners as it gives a floral scent. It is also used as a flavour for mouthwashes and toothpastes. |
| Chemical Properties | white to off-white crystalline mass, powder or crystals and/or chunk |
| Chemical Properties | 3-Phenylpropionic acid has a faint, sweet odor, somewhat balsamic and coumarin-like with a mildly sweet-sour,vanilla-like taste. |
| Occurrence | Reported found in raspberry, guava fruit, Vitis vinifera L., papaya, strawberry fruit, cinnamon, cassia leaf,cheddar cheese, cocoa, beer, cognac, white wine, red wine, special wine, rose apple, mushroom, cloudberry, Boletus edulis, freshmango, licorice and labdanum. |
| Uses | Used in the compositions for the treatment of blood disorders using α-methylhydrocinnamic acid. Hydrocinnamic acid was used in the synthesis of three medium-chain acyl-Coenzyme A′s i.e. 3-phenylpropionyl-CoA from mixed anhydrides of fatty acids. |
| Definition | ChEBI: A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. |
| Preparation | By reduction of cinnamic acid using sodium amalgam. |
| Application | 3-Phenylpropionic acid is rarely, if ever, used in perfumes,but it finds some use in flavor compositions,mainly as a fixative in Vanilla imitation, incomplexes as a sweetener, and in Cheeseimitation flavor for its mild pungency andherbaceous character. |
| Synthesis Reference(s) | Tetrahedron Letters, 29, p. 5599, 1988 DOI: 10.1016/S0040-4039(00)80822-9 |
| General Description | Hydrocinnamic acid forms complexes with uranium(VI) and has been investigated in aqueous solution by attenuated total reflection fourier transform infrared spectroscopy. Hydrocinnamic acids are the major rhizospheric compounds with known growth regulatory activity. |
| Purification Methods | Crystallise the acid from *benzene, CHCl3 or pet ether (b 40-60o). Dry it in a vacuum. [Beilstein 9 H 508.] |
3-Phenylpropionic acid Preparation Products And Raw materials
| Raw materials | Nickel-->Amalgam sodium |
| Preparation Products | Iopanoic acid-->3-(4-NITRO-PHENYL)-PROPIONALDEHYDE-->Bedaquiline fumarate-->Cyclohexanepropionic acid-->(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one-->USP7-IN-1-->(S)-(+)-2-Phenylpropionic acid-->Vinyl 3-phenylpropanoate-->3-(4-Nitrophenyl)propionyl chloride-->Quinoline, 2-chloro-6-methoxy-3-(phenylmethyl)- |
