Introduction：Basic information about 4-N-PROPYLANISOLE CAS 104-45-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-N-PROPYLANISOLE Basic information
| Product Name: | 4-N-PROPYLANISOLE |
| Synonyms: | DIHYDROANETHOLE;FEMA 2930;4-PROPYLANISOLE;4-N-PROPYLANISOLE;1-METHOXY-4-PROPYLBENZENE;TIMTEC-BB SBB007737;P-PROPYL ANISOLE;1-methoxy-4-propyl-benzen |
| CAS: | 104-45-0 |
| MF: | C10H14O |
| MW: | 150.22 |
| EINECS: | 203-203-4 |
| Product Categories: | |
| Mol File: | 104-45-0.mol |
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4-N-PROPYLANISOLE Chemical Properties
| Melting point | 45-46 °C |
| Boiling point | 215 °C(lit.) |
| density | 0.941 g/mL at 25 °C(lit.) |
| FEMA | 2930 | P-PROPYLANISOLE |
| refractive index | n20/D 1.504(lit.) |
| Fp | 194 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Very slightly soluble in water, soluble in alcohol and oils |
| color | Colorless liquid |
| Odor | at 10.00 % in dipropylene glycol. sweet anise licorice sassafrass fennel |
| Odor Type | anisic |
| biological source | synthetic |
| JECFA Number | 1244 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | KBHWKXNXTURZCD-UHFFFAOYSA-N |
| SMILES | CCCc1ccc(OC)cc1 |
| LogP | 3.66 |
| CAS DataBase Reference | 104-45-0(CAS DataBase Reference) |
| EPA Substance Registry System | p-Propylanisole (104-45-0) |
Safety Information
| Hazard Codes | N |
| Risk Statements | 51/53 |
| Safety Statements | 61 |
| RIDADR | UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR) |
| WGK Germany | 2 |
| RTECS | BZ9450000 |
| TSCA | TSCA listed |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Chronic 2 |
| toxicity | The acute oral LD50 value was reported as 4.4 g/kg (3.38-5.72 g/kg) in the rat and as 7.30 g/kg (5.93-9.00 g/kg) in the mouse (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974). |
4-N-PROPYLANISOLE Usage And Synthesis
| Chemical Properties | p-Propyl anisole has a characteristic anise-type odor with a sassafras undertone. |
| Occurrence | Reported found in katsuobishi (dried bonito). |
| Uses | The malerial is more stable in soap than Anethole. It finds some application in perfume compositions. particularly in low-cost masking odors for industrial purposes, detergent perfumes, household fragrances, etc. It is used in flavor compositions for Licor-ice, Rootbeer, Birchbeer, Spice blends, Vanilla imitation, Wintcrgreen, etc. |
| Definition | ChEBI: 1-Methoxy-4-propylbenzene is a member of methoxybenzenes. |
| Preparation | By partial hydrogenation of anethole in the presence of nickel at 60 to 95°C under pressure or under atmospheric pressure. |
| Aroma threshold values | Aroma characteristics at 1.0% EtoH: intense, lingering sweet anise, licorice with an herbal fennel nuance.It is reminiscent of black cough drops and root beer. |
| Taste threshold values | Taste characteristics at 1 to 15 ppm: intense herbal, fennel, sweetness reminiscent of black licorice, sassafrasand anise. It has slight, spicy, basil-like nuances. |
| Synthesis Reference(s) | Tetrahedron Letters, 40, p. 6729, 1999 DOI: 10.1016/S0040-4039(99)01394-5 |
| Safety Profile | Mildly toxic byingestion. Mutation data reported.Combustible liquid. When heated to decomposition it emits acrid smoke andirritating fumes. |
4-N-PROPYLANISOLE Preparation Products And Raw materials
