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| IUPAC name : | [(E)-3-phenylprop-2-enyl] butanoate |
| InChI : | InChI=1/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+ |
| InChIKey : | YZYPQKZWNXANRB-UXBLZVDNBR |
| SMILES : | CCCC(=O)OC\C=C\C1=CC=CC=C1 |
| cas number : | 78761-39-4 |
| fema number : | 2296 |
| coe number : | 279 |
| molar refractivity : | 62.44 ± 0.3 cm3 |
| parachor : | 494.1 ± 4.0 cm3 |
| index of refraction : | 1.537 ± 0.02 |
| surface tension : | 37.3 ± 3.0 dyne/cm |
| density : | 1.021 ± 0.06 g/cm3 |
| polarizability : | 24.75 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | soft balsam fruity |
| substantivity : | 152 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.01000 - 1.01500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.404 to 8.446
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| refractive index : | 1.52500 - 1.53000 @ 20.00 °C.
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| boiling point : | 300.00 °C. @ 760.00 mm Hg
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| boiling point : | 174.00 °C. @ 20.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| 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 (E)-cinnamyl butyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for (E)-cinnamyl butyrate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| rtecs : | ES8815000 for 78761-39-4 |
| chemidplus : | 000103617 |
| epa-srs : | 78761-39-4 |
| dtp/nci : | 30528 |
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| other : | |
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| references : | |
| pubchem : | 150746 |
| NIST Chemistry WebBook : | 2508860821 |
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