| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 3-methylbutyl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3 |
| InChIKey : | JFHCDEYLWGVZMX-CMDGGOBGBA |
| SMILES : | CC(C)CCOC(=O)C=CC1=CC=CC=C1 |
| (EINECS) number : | 231-931-2 |
| cas number : | 7779-65-9 |
| fema number : | 2063 |
| coe number : | 335 |
| jecfa number : | 665 |
| fl. number : | 09.742 |
| molar refractivity : | 67.04 ± 0.3 cm3 |
| parachor : | 531.2 ± 4.0 cm3 |
| index of refraction : | 1.530 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 1.006 ± 0.06 g/cm3 |
| polarizability : | 26.57 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 218.2915200 |
| formula : | C14 H18 O2 |
| BioActivity Analysis : | 17388970 |
|
|
| |
| |
| IUPAC name : | 3-methylbutyl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+ |
| InChIKey : | JFHCDEYLWGVZMX-CMDGGOBGBA |
| SMILES : | CC(C)CCOC(=O)\C=C\C1=CC=CC=C1 |
| (EINECS) number : | 231-931-2 |
| cas number : | 7779-65-9 |
| fema number : | 2063 |
| coe number : | 335 |
| jecfa number : | 665 |
| fl. number : | 09.742 |
| molar refractivity : | 67.04 ± 0.3 cm3 |
| parachor : | 531.2 ± 4.0 cm3 |
| index of refraction : | 1.530 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 1.006 ± 0.06 g/cm3 |
| polarizability : | 26.57 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 218.2915200 |
| formula : | C14 H18 O2 |
| BioActivity Analysis : | 17388970 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2916.12.6000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | floral amber cocoa orchid musty |
| taste description³ : | at 35.00 ppm.
Sweet, floral, powdery, berry and spice nuances |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99200 - 0.09970 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.254 to 0.830
|
| refractive index : | 1.53500 - 1.53900 @ 20.00 °C.
|
| boiling point : | 310.00 °C. @ 760.00 mm Hg
|
| boiling point : | 192.00 °C. @ 30.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 4.12 |
| safety : | |
| 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 isoamyl cinnamate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| | |
| recommendation for isoamyl cinnamate usage levels up to : |
| | 35.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 231-931-2 |
| rtecs : | UD3656100 for 7779-65-9 |
| chemidplus : | 7779-65-9 |
| epa-srs : | 7779-65-9 |
| | |
| (EINECS) number : | 231-931-2 |
| rtecs : | UD3656100 for 7779-65-9 |
| chemidplus : | 007779659 |
| epa-srs : | 7779-65-9 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 43119744 |
| | |
| pubchem : | 204207 |
| NIST Chemistry WebBook : | 3147949694 |
| | |
| reference : | Mosciano, Gerard P&F 18, No. 5, 39, (1993)³ |