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| IUPAC name : | 3-phenylprop-2-enyl propanoate |
| InChI : | InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3 |
| InChIKey : | KGDJMNKPBUNHGY-UHFFFAOYAA |
| SMILES : | CCC(=O)OCC=CC1=CC=CC=C1 |
| (EINECS) number : | 203-124-5 |
| cas number : | 103-56-0 |
| fema number : | 2301 |
| coe number : | 414 |
| jecfa number : | 651 |
| fl. number : | 09.133 |
| molar refractivity : | 57.81 ± 0.3 cm3 |
| parachor : | 454.3 ± 4.0 cm3 |
| index of refraction : | 1.543 ± 0.02 |
| surface tension : | 37.6 ± 3.0 dyne/cm |
| density : | 1.037 ± 0.06 g/cm3 |
| polarizability : | 22.91 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
| BioActivity Analysis : | 99568 |
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| IUPAC name : | [(E)-3-phenylprop-2-enyl] propanoate |
| InChI : | InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+ |
| InChIKey : | KGDJMNKPBUNHGY-RMKNXTFCBG |
| SMILES : | CCC(=O)OC\C=C\C1=CC=CC=C1 |
| cas number : | 103-56-0 |
| fema number : | 2301 |
| molar refractivity : | 57.81 ± 0.3 cm3 |
| parachor : | 454.3 ± 4.0 cm3 |
| index of refraction : | 1.543 ± 0.02 |
| surface tension : | 37.6 ± 3.0 dyne/cm |
| density : | 1.037 ± 0.06 g/cm3 |
| polarizability : | 22.91 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
| BioActivity Analysis : | 99568 |
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| fda reg : | 172.515 |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | spicy |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet spicy fruity balsam grape |
| taste description³ : | at 10.00 ppm.
Sweet, floral, waxy, balsamic, green, punch, grape and cherry |
| substantivity : | 184 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03000 - 1.03300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.571 to 8.596
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| specific gravity : | 1.02903 - 1.03600 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.573 to 8.631
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| refractive index : | 1.53100 - 1.53400 @ 20.00 °C.
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| boiling point : | 288.00 - 289.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.15 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3400.00 mg/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 cinnamyl propionate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for cinnamyl propionate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-124-5 |
| rtecs : | GE2360000 for 103-56-0 |
| chemidplus : | 103-56-0 |
| epa-srs : | 103-56-0 |
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| chemidplus : | 000103560 |
| epa-srs : | 103-56-0 |
| dtp/nci : | 46120 |
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| other : | |
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| references : | |
| pubchem : | 29226481 |
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| pubchem : | 150743 |
| NIST Chemistry WebBook : | 2761466801 |
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| reference : | Mosciano, Gerard P&F 23, No. 2, 43, (1998)³ |