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| | Phenylacetic acid isobutyl ester Basic information |
| | Phenylacetic acid isobutyl ester Chemical Properties |
| Boiling point | 253 °C(lit.) | | density | 0.986 g/mL at 25 °C(lit.) | | vapor pressure | 2-3.4Pa at 20-25℃ | | refractive index | n20/D 1.487(lit.) | | FEMA | 2210 | ISOBUTYL PHENYLACETATE | | Fp | >230 °F | | form | Liquid | | color | Colorless to Light yellow | | Specific Gravity | 0.985~0.991 (20/4℃) | | Odor | at 100.00 %. sweet floral honey chocolate amber | | Odor Type | chocolate | | biological source | synthetic | | JECFA Number | 1013 | | Major Application | flavors and fragrances | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 | | InChIKey | RJASFPFZACBKBE-UHFFFAOYSA-N | | SMILES | CC(C)COC(=O)Cc1ccccc1 | | LogP | 3.5 at 35℃ and pH7 | | CAS DataBase Reference | 102-13-6(CAS DataBase Reference) | | NIST Chemistry Reference | Iso-butyl-phenyl-acetate(102-13-6) | | EPA Substance Registry System | Benzeneacetic acid, 2-methylpropyl ester (102-13-6) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 2 | | RTECS | CY1681950 | | TSCA | TSCA listed | | HS Code | 29163990 | | Storage Class | 10 - Combustible liquids | | toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg. |
| | Phenylacetic acid isobutyl ester Usage And Synthesis |
| Description | Isobutyl phenylacetate has a sweet, musk-like fragrance and a
sweet, honey-like flavor. Prepared via esterification of phenylacetic
acid with isobutyl alcohol. | | Chemical Properties | Isobutyl phenylacetate has a sweet, musk-like fragrance and a sweet, honey-like flavor | | Chemical Properties | Colorless liquid; honeylike odor.Soluble in most fixed oils; insoluble in glycerol, mineral oil, and propyene glycol. Combustible. | | Occurrence | Reported found in cocoa | | Uses | Flavoring agent, perfumes. | | Preparation | By esterification of phenylacetic acid with isobutyl alcohol. | | Definition | ChEBI: 2-Methylpropyl phenylacetate is a member of benzenes. | | Taste threshold values | Taste characteristics at 4 ppm: sweet, cocoa, fruity, honey and waxy with a spicy nuance | | Biochem/physiol Actions | Taste at 5 ppm |
| | Phenylacetic acid isobutyl ester Preparation Products And Raw materials |
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