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| | Phenoxyethyl isobutyrate Basic information |
| Product Name: | Phenoxyethyl isobutyrate | | Synonyms: | 2-methyl-propanoicaci2-phenoxyethylester;2-methylpropionic acid 2-(phenoxy)ethyl ester;2-Phenoxyethyl isobutyrate,Ethylene glycol monophenylether isobutyrate;Phenoxyethyl isobuty;ISOBUTYRATE, 2-PHENOXYETHYL;ethylene glycol monophenylether isobutyrate;beta-Phenoxyethyl iso-butyrate;Isobutyric acid, 2-phenoxyethyl ester | | CAS: | 103-60-6 | | MF: | C12H16O3 | | MW: | 208.25 | | EINECS: | 203-127-1 | | Product Categories: | | | Mol File: | 103-60-6.mol |  |
| | Phenoxyethyl isobutyrate Chemical Properties |
| Boiling point | 125-127 °C4 mm Hg(lit.) | | density | 1.044 g/mL at 25 °C(lit.) | | vapor pressure | 0.77Pa at 25℃ | | refractive index | n20/D 1.493(lit.) | | FEMA | 2873 | 2-PHENOXYETHYL ISOBUTYRATE | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | form | clear liquid | | color | Colorless liquid | | Odor | honey, roselike odor | | Odor Type | green | | Water Solubility | 196mg/L at 20℃ | | JECFA Number | 1028 | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 | | InChIKey | MJTPMXWJHPOWGH-UHFFFAOYSA-N | | SMILES | O(CCOC(=O)C(C)C)c1ccccc1 | | LogP | 3.2 at 24℃ | | CAS DataBase Reference | 103-60-6(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Phenoxyethyl isobutyrate(103-60-6) | | EPA Substance Registry System | Phenoxyethyl isobutyrate (103-60-6) |
| WGK Germany | 1 | | RTECS | UA2470910 | | TSCA | TSCA listed | | HS Code | 2918.99.4700 | | Storage Class | 10 - Combustible liquids | | Toxicity | LD50 orl-rat: >5 g/kg FCTXAV 12,955,74 |
| | Phenoxyethyl isobutyrate Usage And Synthesis |
| Chemical Properties | It
is a colorless liquid with a sweet, floral, fruity odor.
The ester is prepared by esterification of 2-phenoxyethanol with isobutyric acid
and is used as a fixative in perfumes (rose and lavender types) as well as for fruity
notes. | | Chemical Properties | 2-Phenoxyethyl isobutyrate has a rose-like and honey odor and a sweet, fruity (peach-like) taste. | | Occurrence | Has apparently not been reported to occur in nature. | | Uses | 2-Phenoxyethyl isobutyrate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters | | Definition | ChEBI: 2-Phenoxyethyl isobutyrate is an aromatic ether. | | Preparation | From the corresponding phenoxyethyl alcohol and isobutyric acid in the presence of boric acid in benzene solution. | | Taste threshold values | Taste characteristics at 50 ppm: green and fruity with waxy, apple nuances. | | Flammability and Explosibility | Non flammable | | Trade name | Phenirat (Symrise) | | Biological Activity | Phenoxyethyl isobutyrate is an antagonist of olfactory receptor OR2AT4, a G-protein-coupled receptor (GPCR) also expressed in human primary keratinocytes. | | Safety Profile | Low toxicity by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes |
| | Phenoxyethyl isobutyrate Preparation Products And Raw materials |
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