benzenepropionicacid
Hydrocinnamic acid
CAS: 501-52-0
Molecular Formula: C9H10O2
benzenepropionicacid - Names and Identifiers
| Name | Hydrocinnamic acid |
| Synonyms | hydrocinnamic Hydrocinamic acid 3-Phenylpropionate Hydrocinnamic acid RARECHEM AL BO 0168 Benyl propionic acid Phenylpropanoic acid benzenepropionicacid Benzenepropionic acid 3-Phenylpropionic acid 3-Phenylpropanoic acid 3-Phenyl propanic acid 3-Phenyl propanoic acid 3-phenyl propionic acid propanoicacid,3-phenyl- propionicacid,3-phenyl- beta-Phenylpropionic Acid 3-Phenylpropionic acid (Hydrocinnamic acid) |
| CAS | 501-52-0 |
| EINECS | 207-924-5 |
| InChI | InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey | XMIIGOLPHOKFCH-UHFFFAOYSA-N |
benzenepropionicacid - Physico-chemical Properties
| Molecular Formula | C9H10O2 |
| Molar Mass | 150.17 |
| Density | 1.071 g/mL at 25 °C (lit.) |
| Melting Point | 45-48 °C (lit.) |
| Boling Point | 280 °C (lit.) |
| Flash Point | >230°F |
| JECFA Number | 646 |
| Water Solubility | Soluble in water |
| Solubility | Soluble in hot water, alcohol, benzene, chloroform, ether, glacial acetic acid, petroleum ether and carbon disulfide, slightly soluble in cold water. Can volatilize with water vapor |
| Vapor Presure | 0.356Pa at 25℃ |
| Appearance | White crystal |
| Specific Gravity | 1.071 |
| Color | Clear yellow to yellow-green |
| Merck | 14,4784 |
| BRN | 907515 |
| pKa | 4.66(at 25℃) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5408 (estimate) |
| MDL | MFCD00002771 |
| Physical and Chemical Properties | Density 1.07 melting point 47-50°C boiling point 279-281°C |
| Use | Used as pharmaceutical intermediates, also used in organic synthesis |
benzenepropionicacid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| RTECS | DA8600000 |
| TSCA | Yes |
| HS Code | 29163900 |
benzenepropionicacid - Reference
| Reference Show more | 1. [IF=4.952] Yulong Wei et al."Characterization of blueberry (Vaccinium corymbosum L.) catechol oxidases III binding mechanism in response to selected substrates and inhibitors."Lwt Food Sci Technol. 2022 Mar;158:113142 |
benzenepropionicacid - Reference Information
| FEMA | 2889 | 3-PHENYLPROPIONIC ACID |
| LogP | 1.153 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Overview | 3-phenylpropionic acid, also known as hydrogenated cinnamic acid, naturally exists in raspberry and rock rose, and those precipitated from ethanol and water are colorless needle-like crystals, those precipitated from ether are colorless prismatic crystals. There are elegant coumarins, vanilla bean-like aromas, and hyacinth and rose-like aromas. Soluble in hot water, alcohol, benzene, chloroform, ether, glacial acetic acid, petroleum ether and carbon dichloride. Slightly soluble in cold water. Can volatilize with water vapor. 3-Phenylalic acid is used as a fixative for spices. |
| preparation | using cinnamic acid as raw material, 3-phenylpropionic acid can be prepared according to the following two methods. (1) Cinnamic acid is mixed with sodium hydroxide solution at 80-90 ℃ to form sodium salt. After adding Raney nickel to the solution, hydrazine hydrate is slowly added dropwise. Cold to 20 ℃, add hydrochloric acid to pH = 1, that is, 3-phenylpropionic acid will be precipitated. (2) Under stirring, the 2.5% sodium amalgam is slowly added to the mixture of cinnamic acid and sodium hydroxide solution, and cinnamic acid is reduced to phenylpropionic acid by the generated new hydrogen. Acidification of the reaction mixture hydrochloric acid, phenylpropionic acid is precipitated as oil, and solidified quickly, and recrystallized with hot water to obtain the finished 3-phenylpropionic acid. |
| application | 3-phenylpropionic acid is a fragrance fixing agent for fragrances, and can also be used as a pharmaceutical intermediate and also used in organic synthesis. |
| traits | hydrogenated cinnamic acid is a white prismatic crystal. |
| properties | 3-phenylpropanoic acid is a white columnar crystal, easily soluble in alcohol, ether, benzene, etc., slightly soluble in cold water, and can volatilize with water vapor. |
| use | hydrogenated cinnamic acid is a fixer for spices. Used as a pharmaceutical intermediate and also used in organic synthesis. This product is a fixer for spices. Used as a pharmaceutical intermediate and also used in organic synthesis Used as a perfume fixative |
| usage limit | FEMA(mg/kg): beverage 0.02~1.0; Cold drink 0.48~1.0; Candy 0.80~4.0; 17.0 of baked goods; Gel, pudding, 1.2; Dairy 2.0; Top material 1.0. FDA,§ 172.515(2000): The right amount is limited. |
| production method | using cinnamic acid as raw material, 3-phenylpropanoic acid can be prepared by the following two methods. (1) Cinnamic acid is mixed with sodium hydroxide solution at 80-90 ℃ to form sodium salt. After adding Raney nickel to the solution, hydrazine hydrate is slowly added dropwise. Cold to 20 ℃, add hydrochloric acid to pH = 1, that is, 3-phenylpropionic acid will be precipitated. (2) Under stirring, the 2.5% sodium amalgam is slowly added to the mixture of cinnamic acid and sodium hydroxide solution, and cinnamic acid is reduced to phenylpropionic acid by the generated new hydrogen. Acidification of the reaction mixture hydrochloric acid, phenylpropionic acid is precipitated as oil, and solidified quickly, and recrystallized with hot water to obtain the finished product. |
Last Update：2024-04-09 15:16:50
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View History
benzenepropionicacid
Isovellerdiol
2,3-Epoxy-2-methylbutaneTrimethylethylene oxideTrimethyloxirane
RARECHEM AN KA 0062
异氟烷
2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel-
Sodium bromate [UN1494] [Oxidizer]
(S)-2-Acetoxypropanethioamide
3-AMINOTHIOANISOLE
丁香茎油
Isovellerdiol
2,3-Epoxy-2-methylbutaneTrimethylethylene oxideTrimethyloxirane
RARECHEM AN KA 0062
异氟烷
2H-Cyclopenta[b]furan-2-one, 3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel-
Sodium bromate [UN1494] [Oxidizer]
(S)-2-Acetoxypropanethioamide
3-AMINOTHIOANISOLE
丁香茎油