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| IUPAC name : | 1-phenylethyl butanoate |
| InChI : | InChI=1/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3 |
| InChIKey : | GGKADXREVJTZMF-UHFFFAOYAD |
| SMILES : | CCCC(=O)OC(C)C1=CC=CC=C1 |
| (EINECS) number : | 222-409-5 |
| cas number : | 3460-44-4 |
| fema number : | 2686 |
| coe number : | 2083 |
| jecfa number : | 803 |
| fl. number : | 09.231 |
| molar refractivity : | 56.11 ± 0.3 cm3 |
| parachor : | 466.4 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 34.4 ± 3.0 dyne/cm |
| density : | 0.998 ± 0.06 g/cm3 |
| polarizability : | 22.24 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruity berry juicy earthy floral jasmin |
| taste description³ : | at 5.00 - 50.00 ppm.
Heavy, fruity, plum-like with a rich tropical nectar nuance. It has juicy fruit and tutti frutti bubble gum-like nuances |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97000 - 1.01000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.071 to 8.404
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| refractive index : | 1.47900 - 1.49300 @ 20.00 °C.
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| boiling point : | 83.00 - 84.00 °C. @ 3.00 mm Hg
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| logp : | 3.34 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 229.00 °F. TCC ( 109.44 °C. )
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| recommendation for styralyl butyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for styralyl butyrate usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 222-409-5 |
| chemidplus : | 3460-44-4 |
| epa-srs : | 3460-44-4 |
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| other : | |
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| references : | |
| pubchem : | 10384378 |
| NIST Chemistry WebBook : | 1909850792 |
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| reference : | Mosciano, Gerard P&F 26, No. 3, 80, (2001)³ |