3-Phenylprpanal
3-Phenylpropionaldehyde
CAS: 104-53-0
Molecular Formula: C9H10O
3-Phenylprpanal - Names and Identifiers
| Name | 3-Phenylpropionaldehyde |
| Synonyms | NSC 9271 Hydrocinnamide 3-Phenylprpanal 3-Phenylpropanal Benzyl acetaldehyde TIMTEC-BB SBB006730 Hydrocinnamaldehyde 3-Phenylpropan-1-al PHENYLPROPYL ALDEHYDE Phenylpropyl aldehyde Hydrocinnamic aldehyde 3-Phenylpropanaldehyde 3-Phenylpropionaldehyde Dihydrocinnamic aldehyde beta-Phenylpropionaldehyde Hydrocinnamaldehyde,3-Phenylpropionaldehyde PHENYLPROPYL ALDEHYDE ( 3-PHENYLPROPIONALDEHYDE ) |
| CAS | 104-53-0 |
| EINECS | 203-211-8 |
| InChI | InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2 |
| InChIKey | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
3-Phenylprpanal - Physico-chemical Properties
| Molecular Formula | C9H10O |
| Molar Mass | 134.18 |
| Density | 1.019 g/mL at 25 °C (lit.) |
| Melting Point | -42 °C |
| Boling Point | 97-98 °C/12 mmHg (lit.) |
| Flash Point | 203°F |
| JECFA Number | 645 |
| Water Solubility | Miscible with chloroform, dichloromethane, ethyl acetate, alcohol and ether. Immiscible with water. |
| Solubility | 0.74mg/l |
| Vapor Presure | 15 hPa (98 °C) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| BRN | 1071910 |
| Storage Condition | Store below +30°C. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.523(lit.) |
| Physical and Chemical Properties | Colorless liquid. There is a fragrance like the Hyacinth. Density 1.010-1.020. Melting point 47. Boiling Point 221-224 °c (0.1 MPa, 744 Hg). Refractive index 532. Soluble in ethanol. |
| Use | Widely used in the preparation of a variety of floral essences, especially clove, jasmine and rose flavor |
3-Phenylprpanal - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/38 - Irritating to eyes and skin. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | MW4890000 |
| FLUKA BRAND F CODES | 10-23 |
| TSCA | Yes |
| HS Code | 29122900 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
3-Phenylprpanal - Reference Information
| FEMA | 2887 | 3-PHENYLPROPIONALDEHYDE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | a sample of 5ml was pipetted and placed in a mL graduated fine-necked flask, 70ml of 10%(W/W) sodium metabisulfite solution was added. The contents were heated to 50-60 °c on a water bath and the flask was vigorously shaken for 15min. When the liquid layer is fully separated, add the above sodium metabisulfite solution to make the oil layer reach the bottleneck scale. The separated oil layer should not exceed 0.5. Or according to Gas chromatography (GT-10-4) using non-polar column method. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drinks 1.0; Cold drinks 1.7; Candy 5.0; Baked goods 5.5; pudding 4.3. Moderate limits (FDA § 172.515,2000). |
| Use | can be used in small amounts for hyacinth, Carnation, Lily, clove, rabbit flower, ylang ylang, rose, jasmine, sweet bean flower, sunflower, sweet clover, new grass and other flavor, sweet and enhance the effectiveness of the aroma. It can also be used in the flavor of vanilla, lauric, fragrant and tobacco. It can also be used as a flavor for almond, Berry, grape, cherry, peach, plum, cinnamon and other flavors. It is widely used in the preparation of various floral essences, especially clove, jasmine and rose essences GB 2760-1996 is the permitted edible flavor. Mainly used in the preparation of grape, cherry, peach, almond, spices and other flavors. |
| production method | benzene Propionitrile is used as a starting material, or made from cinnamaldehyde Di: ethyl acetal. |
| autoignition temperature | 245°C DIN 51794 |
Last Update：2024-04-09 02:00:04
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