| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | propan-2-yl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChIKey : | RGACABDFLVLVCT-UHFFFAOYAC |
| SMILES : | CC(C)OC(=O)C=CC1=CC=CC=C1 |
| (EINECS) number : | 231-949-0 |
| cas number : | 7780-06-5 |
| beilstein number : | 1908938 |
| fema number : | 2939 |
| coe number : | 325 |
| jecfa number : | 661 |
| fl. number : | 09.732 |
| molar refractivity : | 57.77 ± 0.3 cm3 |
| parachor : | 451.7 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 36.4 ± 3.0 dyne/cm |
| density : | 1.035 ± 0.06 g/cm3 |
| polarizability : | 22.90 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
|
|
| |
| |
| IUPAC name : | propan-2-yl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+ |
| InChIKey : | RGACABDFLVLVCT-CMDGGOBGBH |
| SMILES : | CC(C)OC(=O)\C=C\C1=CC=CC=C1 |
| cas number : | 7780-06-5 |
| molar refractivity : | 57.77 ± 0.3 cm3 |
| parachor : | 451.7 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 36.4 ± 3.0 dyne/cm |
| density : | 1.035 ± 0.06 g/cm3 |
| polarizability : | 22.90 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
|
|
| |
| |
| IUPAC name : | propan-2-yl (Z)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8- |
| InChIKey : | RGACABDFLVLVCT-HJWRWDBZBB |
| SMILES : | CC(C)OC(=O)\C=C/C1=CC=CC=C1 |
| cas number : | 7780-06-5 |
| molar refractivity : | 57.77 ± 0.3 cm3 |
| parachor : | 451.7 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 36.4 ± 3.0 dyne/cm |
| density : | 1.035 ± 0.06 g/cm3 |
| polarizability : | 22.90 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam sweet amber fruity dry |
| substantivity : | 252 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99500 - 1.04000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.279 to 8.654
|
| refractive index : | 1.52000 - 1.57000 @ 20.00 °C.
|
| boiling point : | 269.00 - 270.00 °C. @ 760.00 mm Hg
|
| acid value : | 2.00 max. KOH/g
|
| logp : | 3.06 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| | |
| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| | |
| recommendation for isopropyl cinnamate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| | |
| recommendation for isopropyl cinnamate usage levels up to : |
| | 3.0000 ppm in the flavor.
|
| | |
| safety links : | |
| msds : | msds |
| | |
| (EINECS) number : | 231-949-0 |
| rtecs : | GD9625000 for 7780-06-5 |
| chemidplus : | 7780-06-5 |
| epa-srs : | 7780-06-5 |
| | |
| chemidplus : | 007780065 |
| epa-srs : | 7780-06-5 |
| | |
| chemidplus : | 7780-06-5 |
| epa-srs : | 7780-06-5 |
| | |
| other : | |
| |
C of A
|
| references : | |
| pubchem : | 29291589 |
| | |
| pubchem : | 167031 |
| NIST Chemistry WebBook : | 3069102823 |
| | |
| pubchem : | 29259156 |
| | |