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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-phenylpropyl butanoate |
| InChI : | InChI=1/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3 |
| InChIKey : | SKLXPNZDCBPHCS-UHFFFAOYAG |
| SMILES : | CCCC(=O)OCC(C)C1=CC=CC=C1 |
| (EINECS) number : | 279-587-2 |
| cas number : | 80866-83-7 |
| fema number : | 2891 |
| coe number : | 285 |
| jecfa number : | 1469 |
| fl. number : | 09.057 |
| molar refractivity : | 60.74 ± 0.3 cm3 |
| parachor : | 506.1 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 34.3 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 24.08 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| IUPAC name : | [(2R)-2-phenylpropyl] butanoate |
| InChI : | InChI=1/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-/m0/s1 |
| InChIKey : | SKLXPNZDCBPHCS-NSHDSACABY |
| SMILES : | CCCC(=O)OC[C@H](C)C1=CC=CC=C1 |
| cas number : | 80866-83-7 |
| molar refractivity : | 60.74 ± 0.3 cm3 |
| parachor : | 506.1 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 34.3 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 24.08 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| IUPAC name : | [(2S)-2-phenylpropyl] butanoate |
| InChI : | InChI=1/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-/m1/s1 |
| InChIKey : | SKLXPNZDCBPHCS-LLVKDONJBH |
| SMILES : | CCCC(=O)OC[C@@H](C)C1=CC=CC=C1 |
| cas number : | 80866-83-7 |
| molar refractivity : | 60.74 ± 0.3 cm3 |
| parachor : | 506.1 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 34.3 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 24.08 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 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 rum apricot |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99100 @ 25.00 °C.
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| refractive index : | 1.48800 @ 20.00 °C.
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| boiling point : | 276.00 - 277.00 °C. @ 760.00 mm Hg
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| logp : | 3.71 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for 2-phenyl propyl butyrate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for 2-phenyl propyl butyrate usage levels up to : |
| | 3.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 279-587-2 |
| chemidplus : | 80866-83-7 |
| epa-srs : | 80866-83-7 |
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| chemidplus : | 80866-83-7 |
| epa-srs : | 80866-83-7 |
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| chemidplus : | 80866-83-7 |
| epa-srs : | 80866-83-7 |
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| other : | |
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| references : | |
| jecfa number : | 1469 |
| fl. number : | 09.057 |
| pubchem : | 10393788 |
| NIST Chemistry WebBook : | 2596295303 |
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| pubchem : | 43647337 |
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| pubchem : | 43613801 |
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