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| IUPAC name : | butyl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3 |
| InChIKey : | OHHIVLJVBNCSHV-UHFFFAOYAH |
| (EINECS) number : | 208-699-6 |
| cas number : | 538-65-8 |
| fema number : | 2192 |
| coe number : | 326 |
| jecfa number : | 663 |
| fl. number : | 09.733 |
| 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 : | 3.60 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| IUPAC name : | butyl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+ |
| InChIKey : | OHHIVLJVBNCSHV-MDZDMXLPBG |
| cas number : | 538-65-8 |
| 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 : | 3.60 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| IUPAC name : | butyl (Z)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9- |
| SMILES : | CCCCOC(=O)\C=C/c1ccccc1 |
| cas number : | 538-65-8 |
| 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 : | 3.60 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| fda reg : | 172.515 |
h. number : | 2916.12.6000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet balsam cocoa |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00700 - 1.01300 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.389 to 8.439
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| refractive index : | 1.54100 - 1.54600 @ 20.00 °C.
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| boiling point : | 145.00 °C. @ 13.00 mm Hg
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| boiling point : | 279.00 - 280.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.83 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for butyl cinnamate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for butyl cinnamate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 208-699-6 |
| chemidplus : | 538-65-8 |
| epa-srs : | 538-65-8 |
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| chemidplus : | 000538658 |
| epa-srs : | 538-65-8 |
| dtp/nci : | 71966 |
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| chemidplus : | 538-65-8 |
| epa-srs : | 538-65-8 |
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| other : | |
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| references : | |
| pubchem : | 29279231 |
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| pubchem : | 154166 |
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| pubchem : | 538-65-8 |
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