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| IUPAC name : | propyl 2-phenylacetate |
| InChI : | InChI=1/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey : | GXXFZZLGPFNITM-UHFFFAOYAB |
| SMILES : | CCCOC(=O)CC1=CC=CC=C1 |
| (EINECS) number : | 225-012-5 |
| cas number : | 4606-15-9 |
| fema number : | 2955 |
| coe number : | 229 |
| jecfa number : | 1010 |
| fl. number : | 09.702 |
| molar refractivity : | 51.47 ± 0.3 cm3 |
| parachor : | 427.9 ± 4.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 35.5 ± 3.0 dyne/cm |
| density : | 1.016 ± 0.06 g/cm3 |
| polarizability : | 20.40 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 178.2276600 |
| formula : | C11 H14 O2 |
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| fda reg : | 172.515 |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | honey |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet honey floral apricot rose |
| taste description³ : | at 1.00 - 5.00 ppm.
Sweet, honey, floral with a fermented balsamic nuance |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00000 - 1.02000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.321 to 8.487
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| refractive index : | 1.48200 - 1.53700 @ 20.00 °C.
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| boiling point : | 240.00 °C. @ 753.00 mm Hg
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| boiling point : | 253.00 °C. @ 760.00 mm Hg
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| logp : | 3.03 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for propyl phenyl acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for propyl phenyl acetate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 225-012-5 |
| chemidplus : | 004606159 |
| epa-srs : | 4606-15-9 |
| dtp/nci : | 6579 |
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| other : | |
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| references : | |
| pubchem : | 203999 |
| NIST Chemistry WebBook : | 4074216172 |
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| reference : | Mosciano, Gerard P&F 26, No. 3, 80, (2001)³ |