| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | methyl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey : | CCRCUPLGCSFEDV-UHFFFAOYAB |
| SMILES : | COC(=O)C=CC1=CC=CC=C1 |
| (EINECS) number : | 203-093-8 |
| cas number : | 103-26-4 |
| fema number : | 2698 |
| coe number : | 333 |
| jecfa number : | 658 |
| fl. number : | 09.740 |
| molar refractivity : | 48.55 ± 0.3 cm3 |
| parachor : | 374.7 ± 4.0 cm3 |
| index of refraction : | 1.558 ± 0.02 |
| surface tension : | 38.5 ± 3.0 dyne/cm |
| density : | 1.078 ± 0.06 g/cm3 |
| polarizability : | 19.24 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 162.1852000 |
| formula : | C10 H10 O2 |
|
|
| |
| |
| IUPAC name : | methyl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+ |
| InChIKey : | CCRCUPLGCSFEDV-BQYQJAHWBN |
| SMILES : | COC(=O)\C=C\C1=CC=CC=C1 |
| cas number : | 1754-62-7 |
| molar refractivity : | 48.55 ± 0.3 cm3 |
| parachor : | 374.7 ± 4.0 cm3 |
| index of refraction : | 1.558 ± 0.02 |
| surface tension : | 38.5 ± 3.0 dyne/cm |
| density : | 1.078 ± 0.06 g/cm3 |
| polarizability : | 19.24 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 162.1852000 |
| formula : | C10 H10 O2 |
| BioActivity Analysis : | 74904 |
|
|
| |
| |
| IUPAC name : | methyl (Z)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7- |
| InChIKey : | CCRCUPLGCSFEDV-FPLPWBNLBT |
| SMILES : | COC(=O)\C=C/C1=CC=CC=C1 |
| cas number : | 103-26-4 |
| molar refractivity : | 48.55 ± 0.3 cm3 |
| parachor : | 374.7 ± 4.0 cm3 |
| index of refraction : | 1.558 ± 0.02 |
| surface tension : | 38.5 ± 3.0 dyne/cm |
| density : | 1.078 ± 0.06 g/cm3 |
| polarizability : | 19.24 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 162.1852000 |
| formula : | C10 H10 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet balsam strawberry cherry cinnamon |
| substantivity : | 164 Hour(s) |
| properties : | |
| appearence : | white crystalline fused |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| boiling point : | 261.00 - 262.00 °C. @ 760.00 mm Hg
|
| boiling point : | 164.00 - 165.00 °C. @ 50.00 mm Hg
|
| acid value : | 2.00 max. KOH/g
|
| logp : | 2.62 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat 2610.00 mg/kg FCTXAV 13,849,1975
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg FCTXAV 13,849,1975
|
| | |
| flash point ( Deg. F. ) : | 286.00 °F. TCC ( 141.11 °C. )
|
| | |
| recommendation for methyl cinnamate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| | |
| recommendation for methyl cinnamate usage levels up to : |
| | 20.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 203-093-8 |
| rtecs : | GE0190000 for 103-26-4 |
| chemidplus : | 000103264 |
| epa-srs : | 103-26-4 |
| | |
| chemidplus : | 001754627 |
| epa-srs : | 1754-62-7 |
| dtp/nci : | 9411 |
| | |
| chemidplus : | 103-26-4 |
| epa-srs : | 103-26-4 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 150725 |
| NIST Chemistry WebBook : | 3489897417 |
| | |
| pubchem : | 657303 |
| NIST Chemistry WebBook : | 3966585108 |
| | |
| pubchem : | 10544297 |
| NIST Chemistry WebBook : | 398907973 |
| | |