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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(phenylmethylidene)heptyl acetate |
| InChI : | InChI=1/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3 |
| InChIKey : | CMJSVJIGLBDCME-UHFFFAOYAP |
| SMILES : | CCCCCC(=CC1=CC=CC=C1)COC(=O)C |
| (EINECS) number : | 231-339-4 |
| cas number : | 7493-78-9 |
| fema number : | 2064 |
| coe number : | 216 |
| jecfa number : | 677 |
| fl. number : | 09.026 |
| molar refractivity : | 76.30 ± 0.3 cm3 |
| parachor : | 610.8 ± 4.0 cm3 |
| index of refraction : | 1.522 ± 0.02 |
| surface tension : | 35.7 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 30.25 ± 0.5 10-24cm3 |
| xlogp : | 5.10 |
| molecular weight : | 246.3446800 |
| formula : | C16 H22 O2 |
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| IUPAC name : | [(E)-1-phenyloct-1-en-3-yl] acetate |
| InChI : | InChI=1/C16H22O2/c1-3-4-6-11-16(18-14(2)17)13-12-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/b13-12+ |
| InChIKey : | PHOQNPPEIYLGSI-OUKQBFOZBV |
| SMILES : | CCCCCC(\C=C\C1=CC=CC=C1)OC(=O)C |
| cas number : | 7493-78-9 |
| molar refractivity : | 76.30 ± 0.3 cm3 |
| parachor : | 610.8 ± 4.0 cm3 |
| index of refraction : | 1.522 ± 0.02 |
| surface tension : | 35.7 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 30.25 ± 0.5 10-24cm3 |
| xlogp : | 5.10 |
| molecular weight : | 246.3446800 |
| formula : | C16 H22 O2 |
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| IUPAC name : | [(Z)-1-phenyloct-1-en-3-yl] acetate |
| InChI : | InChI=1/C16H22O2/c1-3-4-6-11-16(18-14(2)17)13-12-15-9-7-5-8-10-15/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/b13-12- |
| SMILES : | O=C(OC(/C=C\c1ccccc1)CCCCC)C |
| cas number : | 7493-78-9 |
| molar refractivity : | 76.30 ± 0.3 cm3 |
| parachor : | 610.8 ± 4.0 cm3 |
| index of refraction : | 1.522 ± 0.02 |
| surface tension : | 35.7 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 30.25 ± 0.5 10-24cm3 |
| xlogp : | 5.10 |
| molecular weight : | 246.3446800 |
| formula : | C16 H22 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | low |
odor description :
at 100.00 %. | floral jasmin chocolate leather fruity balsam |
| taste description³ : | at 15.00 ppm.
Earthy, fruity, spicy, powdery and balsamic |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95300 - 0.96100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.930 to 7.996
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| specific gravity : | 0.95400 - 0.96200 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.947 to 8.014
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| refractive index : | 1.48700 - 1.49500 @ 20.00 °C.
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| boiling point : | 353.00 - 354.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.09 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for alpha-amyl cinnamyl acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for alpha-amyl cinnamyl acetate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-339-4 |
| chemidplus : | 7493-78-9 |
| epa-srs : | 7493-78-9 |
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| chemidplus : | 007493789 |
| epa-srs : | 7493-78-9 |
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| chemidplus : | 7493-78-9 |
| epa-srs : | 7493-78-9 |
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| other : | |
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| references : | |
| pubchem : | 43144277 |
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| pubchem : | 166641 |
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| pubchem : | 7493-78-9 |
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| reference : | Mosciano, Gerard P&F 22, No. 3, 47, (1997)³ |