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| CAS No.: | 7778-83-8 |
|---|---|
| Name: | Propyl cinnamate |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C12H14O2 |
| Molecular Weight: | 190.242 |
| Synonyms: | Cinnamicacid, propyl ester (6CI,7CI,8CI);NSC 406146;Propyl 3-phenylacrylate;Propylcinnamate;n-Propyl cinnamate;Propyl 3-phenyl-2-propenoate;FEMA No. 2938;2-Propenoic acid, 3-phenyl-, propyl ester;Cinnamic acid, propyl ester;AI3-02024; |
| EINECS: | 231-916-0 |
| Density: | 1.037 g/cm3 |
| Boiling Point: | 286.2 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| Appearance: | Colorless,Viscous Liquid,Cold case when curing formed crystals |
| Hazard Symbols: | N |
| Risk Codes: | 51/53 |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 2.65300 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The N-Propyl cinnamate with CAS registry number of 7778-83-8 is also known as 2-Propenoic acid, 3-phenyl-, propyl ester. The systematic name is Propyl 3-phenylprop-2-enoate. It belongs to product categories of Aromatic Cinnamic Acids, Esters and Derivatives; Ester Flavor. Its EINECS registry number is 231-916-0. In addition, the formula is C12H14O2 and the molecular weight is 190.24. This chemical should be stored in sealed containers in cool, dry place away from oxidizing agents. When you are using this chemical, avoid contact with skin and eyes.
Physical properties about N-Propyl cinnamate are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 3.24; (4)ACD/BCF (pH 5.5): 170.56; (5)ACD/BCF (pH 7.4): 170.56; (6)ACD/KOC (pH 5.5): 1377.79; (7)ACD/KOC (pH 7.4): 1377.79; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 57.81 cm3; (12)Molar Volume: 183.4 cm3; (13)Surface Tension: 37.6 dyne/cm; (14)Density: 1.037 g/cm3; (15)Flash Point: 156.1 °C; (16)Enthalpy of Vaporization: 52.53 kJ/mol; (17)Boiling Point: 286.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00268 mmHg at 25 °C.
Preparation of N-Propyl cinnamate: it is prepared by reaction of 3-phenyl-acrylic acid methyl ester with propan-1-ol. The reaction needs catalyst iodine and other condition of heating for 20 hours. The yield is about 91%.
Uses of N-Propyl cinnamate: it is used to produce 3-phenyl-acrylic acid methyl ester by reaction with methanol. The reaction occurs with catalyst iodine and other condition of heating for 20 hours. The yield is about 89%.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCC)C=Cc1ccccc1
2. InChI: InChI=1/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
3. InChIKey: OLLPXZHNCXACMM-UHFFFAOYAL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 3mL/kg (3mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
| mouse | LD50 | oral | 7mL/kg (7mL/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. |